Carboxylic acid esters

Organic compounds that are directly derived from carboxylic acid, and contain an ester functional group substitution; ester groups contain an oxygen atom that is bonded to two carbon atoms or organic groups via single bonds.

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(1S,3R)-cis-3-(Methoxycarbonyl)cyclopentane-1-carboxylic acid, 97%

CAS: 96443-42-4 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD04972280 InChI Key: FVUHGTQDOMGZOT-NTSWFWBYSA-N Synonym: 1s,3r-3-methoxycarbonyl cyclopentanecarboxylic acid,1s,3r-3-methoxycarbonyl cyclopentane-1-carboxylic acid,1r,3s-1,3-cyclopentanedicarboxylic acid 1-methyl ester,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxylic acid,cis-3-methoxycarbonyl cyclopentancarboxylic acid,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxyl,1,3-cyclopentanedicarboxylicacid,1-methyl ester, 1r,3s,1r-cis-1,3-cyclopentanedicarboxylic acid monomethyl ester,1,3-cyclopentanedicarboxylic acid, 1-methyl ester, 1r,3s PubChem CID: 10888375 IUPAC Name: (1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid SMILES: COC(=O)C1CCC(C1)C(=O)O

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Specifications

PubChem CID	10888375
CAS	96443-42-4
Molecular Weight (g/mol)	172.18
MDL Number	MFCD04972280
SMILES	COC(=O)C1CCC(C1)C(=O)O
Synonym	1s,3r-3-methoxycarbonyl cyclopentanecarboxylic acid,1s,3r-3-methoxycarbonyl cyclopentane-1-carboxylic acid,1r,3s-1,3-cyclopentanedicarboxylic acid 1-methyl ester,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxylic acid,cis-3-methoxycarbonyl cyclopentancarboxylic acid,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxyl,1,3-cyclopentanedicarboxylicacid,1-methyl ester, 1r,3s,1r-cis-1,3-cyclopentanedicarboxylic acid monomethyl ester,1,3-cyclopentanedicarboxylic acid, 1-methyl ester, 1r,3s
IUPAC Name	(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
InChI Key	FVUHGTQDOMGZOT-NTSWFWBYSA-N
Molecular Formula	C8H12O4

Methyl 4-chlorocinnamate, 99%

CAS: 7560-44-3 Molecular Formula: C10H9ClO2 Molecular Weight (g/mol): 196.63 MDL Number: MFCD00075790 InChI Key: IIBXQGYKZKOORG-QPJJXVBHSA-N Synonym: methyl 4-chlorocinnamate,methyl p-chlorocinnamate,methyl 3-4-chlorophenyl acrylate,4-chlorocinnamic acid methyl ester,cinnamic acid, p-chloro-, methyl ester,2-propenoic acid, 3-4-chlorophenyl-, methyl ester,methyl e-3-4-chlorophenyl prop-2-enoate,e-methyl 3-4-chlorophenyl acrylate,methyl 2e-3-4-chlorophenyl prop-2-enoate,methyl 3-4-chlorophenyl prop-2-enoate PubChem CID: 5314314 IUPAC Name: methyl (E)-3-(4-chlorophenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC=C(C=C1)Cl

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Specifications

PubChem CID	5314314
CAS	7560-44-3
Molecular Weight (g/mol)	196.63
MDL Number	MFCD00075790
SMILES	COC(=O)C=CC1=CC=C(C=C1)Cl
Synonym	methyl 4-chlorocinnamate,methyl p-chlorocinnamate,methyl 3-4-chlorophenyl acrylate,4-chlorocinnamic acid methyl ester,cinnamic acid, p-chloro-, methyl ester,2-propenoic acid, 3-4-chlorophenyl-, methyl ester,methyl e-3-4-chlorophenyl prop-2-enoate,e-methyl 3-4-chlorophenyl acrylate,methyl 2e-3-4-chlorophenyl prop-2-enoate,methyl 3-4-chlorophenyl prop-2-enoate
IUPAC Name	methyl (E)-3-(4-chlorophenyl)prop-2-enoate
InChI Key	IIBXQGYKZKOORG-QPJJXVBHSA-N
Molecular Formula	C10H9ClO2

Methyl p-toluate, 99%

CAS: 99-75-2 MDL Number: MFCD00008441 InChI Key: QSSJZLPUHJDYKF-UHFFFAOYSA-N Synonym: methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate PubChem CID: 7455 IUPAC Name: methyl 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC

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Specifications

PubChem CID	7455
CAS	99-75-2
MDL Number	MFCD00008441
SMILES	CC1=CC=C(C=C1)C(=O)OC
Synonym	methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate
IUPAC Name	methyl 4-methylbenzoate
InChI Key	QSSJZLPUHJDYKF-UHFFFAOYSA-N

Methyl 4-aminobenzoate, 98%

CAS: 619-45-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007891 InChI Key: LZXXNPOYQCLXRS-UHFFFAOYSA-N Synonym: 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester PubChem CID: 12082 IUPAC Name: methyl 4-aminobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N

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Specifications

PubChem CID	12082
CAS	619-45-4
Molecular Weight (g/mol)	151.165
MDL Number	MFCD00007891
SMILES	COC(=O)C1=CC=C(C=C1)N
Synonym	4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester
IUPAC Name	methyl 4-aminobenzoate
InChI Key	LZXXNPOYQCLXRS-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

Dehydroacetic acid, 98%

CAS: 520-45-6 Molecular Formula: C₈H₈O₄ Molecular Weight (g/mol): 168.15 MDL Number: MFCD00066709 InChI Key: PGRHXDWITVMQBC-UHFFFAOYSA-N Synonym: dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 PubChem CID: 122903 IUPAC Name: 3-acetyl-6-methylpyran-2,4-dione SMILES: CC1=CC(=O)C(C(=O)O1)C(=O)C

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Specifications

PubChem CID	122903
CAS	520-45-6
Molecular Weight (g/mol)	168.15
MDL Number	MFCD00066709
SMILES	CC1=CC(=O)C(C(=O)O1)C(=O)C
Synonym	dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4
IUPAC Name	3-acetyl-6-methylpyran-2,4-dione
InChI Key	PGRHXDWITVMQBC-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₄

Methyl pyruvate, 98%

CAS: 600-22-6 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.089 MDL Number: MFCD00008754 InChI Key: CWKLZLBVOJRSOM-UHFFFAOYSA-N Synonym: methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester PubChem CID: 11748 ChEBI: CHEBI:51850 IUPAC Name: methyl 2-oxopropanoate SMILES: CC(=O)C(=O)OC

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Specifications

PubChem CID	11748
CAS	600-22-6
Molecular Weight (g/mol)	102.089
ChEBI	CHEBI:51850
MDL Number	MFCD00008754
SMILES	CC(=O)C(=O)OC
Synonym	methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester
IUPAC Name	methyl 2-oxopropanoate
InChI Key	CWKLZLBVOJRSOM-UHFFFAOYSA-N
Molecular Formula	C4H6O3

Methyl cyclohexanecarboxylate, 98%

CAS: 4630-82-4 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001458 InChI Key: ZQWPRMPSCMSAJU-UHFFFAOYSA-N Synonym: cyclohexanecarboxylic acid, methyl ester,methyl cyclohexanoate,methyl cyclohexylcarboxylate,cyclohexanecarboxylic acid methyl ester,hexahydrobenzoic acid methyl ester,methyl cyclohexylformate,methyl hexahydrobenzoate,methyl cyclohexane carboxylate,fema no. 3568,methyl ester of cyclohexanecarboxylic acid PubChem CID: 20748 IUPAC Name: methyl cyclohexanecarboxylate SMILES: COC(=O)C1CCCCC1

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Specifications

PubChem CID	20748
CAS	4630-82-4
Molecular Weight (g/mol)	142.20
MDL Number	MFCD00001458
SMILES	COC(=O)C1CCCCC1
Synonym	cyclohexanecarboxylic acid, methyl ester,methyl cyclohexanoate,methyl cyclohexylcarboxylate,cyclohexanecarboxylic acid methyl ester,hexahydrobenzoic acid methyl ester,methyl cyclohexylformate,methyl hexahydrobenzoate,methyl cyclohexane carboxylate,fema no. 3568,methyl ester of cyclohexanecarboxylic acid
IUPAC Name	methyl cyclohexanecarboxylate
InChI Key	ZQWPRMPSCMSAJU-UHFFFAOYSA-N
Molecular Formula	C8H14O2

Ethyl sorbate, 96%

CAS: 2396-84-1 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00009296 InChI Key: OZZYKXXGCOLLLO-TWTPFVCWSA-N Synonym: ethyl sorbate,ethyl 2,4-hexadienoate,ethyl hexa-2,4-dienoate,sorbic acid, ethyl ester,2,4-hexadienoic acid, ethyl ester,ethyl 2e,4e-hexa-2,4-dienoate,ethyl e,e-2,4-hexadienoate,unii-hsr16usg4d,2,4-hexadienoic acid, ethyl ester, 2e,4e,fema no. 2459 PubChem CID: 1550470 IUPAC Name: ethyl (2E,4E)-hexa-2,4-dienoate SMILES: CCOC(=O)\C=C\C=C\C

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Specifications

PubChem CID	1550470
CAS	2396-84-1
Molecular Weight (g/mol)	140.18
MDL Number	MFCD00009296
SMILES	CCOC(=O)\C=C\C=C\C
Synonym	ethyl sorbate,ethyl 2,4-hexadienoate,ethyl hexa-2,4-dienoate,sorbic acid, ethyl ester,2,4-hexadienoic acid, ethyl ester,ethyl 2e,4e-hexa-2,4-dienoate,ethyl e,e-2,4-hexadienoate,unii-hsr16usg4d,2,4-hexadienoic acid, ethyl ester, 2e,4e,fema no. 2459
IUPAC Name	ethyl (2E,4E)-hexa-2,4-dienoate
InChI Key	OZZYKXXGCOLLLO-TWTPFVCWSA-N
Molecular Formula	C8H12O2

Methyl 3-mercaptopropionate, 98%

CAS: 2935-90-2 Molecular Formula: C₄H₈O₂S Molecular Weight (g/mol): 120.17 MDL Number: MFCD00004895 InChI Key: LDTLDBDUBGAEDT-UHFFFAOYSA-N PubChem CID: 18050 IUPAC Name: methyl 3-sulfanylpropanoate SMILES: COC(=O)CCS

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Specifications

PubChem CID	18050
CAS	2935-90-2
Molecular Weight (g/mol)	120.17
MDL Number	MFCD00004895
SMILES	COC(=O)CCS
IUPAC Name	methyl 3-sulfanylpropanoate
InChI Key	LDTLDBDUBGAEDT-UHFFFAOYSA-N
Molecular Formula	C₄H₈O₂S

Methyl 3-bromopropionate, 97%

CAS: 3395-91-3 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00000250 InChI Key: KQEVIFKPZOGBMZ-UHFFFAOYSA-N Synonym: methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester PubChem CID: 76934 IUPAC Name: methyl 3-bromopropanoate SMILES: COC(=O)CCBr

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Specifications

PubChem CID	76934
CAS	3395-91-3
Molecular Weight (g/mol)	167.00
MDL Number	MFCD00000250
SMILES	COC(=O)CCBr
Synonym	methyl 3-bromopropionate,propanoic acid, 3-bromo-, methyl ester,methyl beta-bromopropionate,3-bromopropionic acid methyl ester,propionic acid, 3-bromo-, methyl ester,3-bromopropanoic acid methyl ester,unii-y803ch1p4w,beta-bromopropionic acid, methyl ester,methyl .beta.-bromopropionate,3-bromo-propionic acid methyl ester
IUPAC Name	methyl 3-bromopropanoate
InChI Key	KQEVIFKPZOGBMZ-UHFFFAOYSA-N
Molecular Formula	C4H7BrO2

Methyl 4-bromopyrrole-2-carboxylate, 97%, Thermo Scientific Chemicals

CAS: 934-05-4 Molecular Formula: C6H6BrNO2 Molecular Weight (g/mol): 204.023 MDL Number: MFCD00832855 InChI Key: ZXFCRVGOHJHZNF-UHFFFAOYSA-N Synonym: methyl 4-bromopyrrole-2-carboxylate,4-bromo-2-methoxycarbonyl-1h-pyrrole,4-bromo-1h-pyrrole-2-carboxylic acid methyl ester,methyl4-bromo-1h-pyrrole-2-carboxylate,4-bromopyrrole-2-carboxylic acid methyl ester,1h-pyrrole-2-carboxylic acid, 4-bromo-, methyl ester,pubchem13045,acmc-209rlm,ksc497g1p,4-bromo-2-methoxycarbonylpyrrole PubChem CID: 2763594 IUPAC Name: methyl 4-bromo-1H-pyrrole-2-carboxylate SMILES: COC(=O)C1=CC(=CN1)Br

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Specifications

PubChem CID	2763594
CAS	934-05-4
Molecular Weight (g/mol)	204.023
MDL Number	MFCD00832855
SMILES	COC(=O)C1=CC(=CN1)Br
Synonym	methyl 4-bromopyrrole-2-carboxylate,4-bromo-2-methoxycarbonyl-1h-pyrrole,4-bromo-1h-pyrrole-2-carboxylic acid methyl ester,methyl4-bromo-1h-pyrrole-2-carboxylate,4-bromopyrrole-2-carboxylic acid methyl ester,1h-pyrrole-2-carboxylic acid, 4-bromo-, methyl ester,pubchem13045,acmc-209rlm,ksc497g1p,4-bromo-2-methoxycarbonylpyrrole
IUPAC Name	methyl 4-bromo-1H-pyrrole-2-carboxylate
InChI Key	ZXFCRVGOHJHZNF-UHFFFAOYSA-N
Molecular Formula	C6H6BrNO2

Methyl hydrogen phthalate, 97%

CAS: 4376-18-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002466 InChI Key: FNJSWIPFHMKRAT-UHFFFAOYSA-N Synonym: 2-methoxycarbonyl benzoic acid,methyl hydrogen phthalate,monomethyl phthalate,mono-methyl phthalate,phthalic acid monomethyl ester,o-methoxycarbonyl benzoic acid,monomethyl 1,2-benzenedicarboxylate,phthalic acid, monomethyl ester,monomethylphthalate,unii-2stt6d18jr PubChem CID: 20392 IUPAC Name: 2-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC=C1C(O)=O

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Specifications

PubChem CID	20392
CAS	4376-18-5
Molecular Weight (g/mol)	180.16
MDL Number	MFCD00002466
SMILES	COC(=O)C1=CC=CC=C1C(O)=O
Synonym	2-methoxycarbonyl benzoic acid,methyl hydrogen phthalate,monomethyl phthalate,mono-methyl phthalate,phthalic acid monomethyl ester,o-methoxycarbonyl benzoic acid,monomethyl 1,2-benzenedicarboxylate,phthalic acid, monomethyl ester,monomethylphthalate,unii-2stt6d18jr
IUPAC Name	2-methoxycarbonylbenzoic acid
InChI Key	FNJSWIPFHMKRAT-UHFFFAOYSA-N
Molecular Formula	C9H8O4

Methyl glycolate, 98%

CAS: 96-35-5 Molecular Formula: C₃H₆O₃ Molecular Weight (g/mol): 90.08 InChI Key: GSJFXBNYJCXDGI-UHFFFAOYSA-N Synonym: methyl glycolate,methyl hydroxyacetate,acetic acid, hydroxy-, methyl ester,glycolic acid, methyl ester,acetic acid, 2-hydroxy-, methyl ester,glycolic acid methyl ester,unii-7g7r729ej0,hydroxyacetic acid methyl ester,glycolic acid methyl,methyl2-hydroxyethanoate PubChem CID: 66774 IUPAC Name: methyl 2-hydroxyacetate SMILES: COC(=O)CO

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Specifications

PubChem CID	66774
CAS	96-35-5
Molecular Weight (g/mol)	90.08
SMILES	COC(=O)CO
Synonym	methyl glycolate,methyl hydroxyacetate,acetic acid, hydroxy-, methyl ester,glycolic acid, methyl ester,acetic acid, 2-hydroxy-, methyl ester,glycolic acid methyl ester,unii-7g7r729ej0,hydroxyacetic acid methyl ester,glycolic acid methyl,methyl2-hydroxyethanoate
IUPAC Name	methyl 2-hydroxyacetate
InChI Key	GSJFXBNYJCXDGI-UHFFFAOYSA-N
Molecular Formula	C₃H₆O₃

Methyl 2,3-dichloropropionate, 98%

CAS: 3674-09-7 Molecular Formula: C4H6Cl2O2 Molecular Weight (g/mol): 156.99 MDL Number: MFCD00000944 InChI Key: OFHMODDLBXETIK-UHFFFAOYNA-N IUPAC Name: methyl 2,3-dichloropropanoate

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Specifications

CAS	3674-09-7
Molecular Weight (g/mol)	156.99
MDL Number	MFCD00000944
IUPAC Name	methyl 2,3-dichloropropanoate
InChI Key	OFHMODDLBXETIK-UHFFFAOYNA-N
Molecular Formula	C4H6Cl2O2

5,6-Dihydro-2H-pyran-2-one, 90%

CAS: 3393-45-1 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00010439 InChI Key: VREFDQNWPNDZEX-UHFFFAOYSA-N Synonym: 5,6-dihydro-2h-pyran-2-one,2h-pyran-2-one, 5,6-dihydro,5,6-dihydropyran-2-one,5,6-dihydro-pyran-2-one,chembl55078,5,6-dihydro-2-pyranone,acmc-1ck70,2-pentenoic acid, 5-hydroxy-, .delta.-lactone,5,6-dihydro-2h-pyran-2-one, technical grade PubChem CID: 520660 IUPAC Name: 2,3-dihydropyran-6-one SMILES: O=C1CC=CCO1

Pricing and Availability
Specifications

PubChem CID	520660
CAS	3393-45-1
Molecular Weight (g/mol)	98.10
MDL Number	MFCD00010439
SMILES	O=C1CC=CCO1
Synonym	5,6-dihydro-2h-pyran-2-one,2h-pyran-2-one, 5,6-dihydro,5,6-dihydropyran-2-one,5,6-dihydro-pyran-2-one,chembl55078,5,6-dihydro-2-pyranone,acmc-1ck70,2-pentenoic acid, 5-hydroxy-, .delta.-lactone,5,6-dihydro-2h-pyran-2-one, technical grade
IUPAC Name	2,3-dihydropyran-6-one
InChI Key	VREFDQNWPNDZEX-UHFFFAOYSA-N
Molecular Formula	C5H6O2

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