Benzyl Derivatives

Organic compounds that are derived from compounds that contain a benzene ring attached to a CH2 group, and have the following structure: C6H5CH2–.

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Benzyl Alcohol (NF), Fisher Chemical™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

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Benzyl Alcohol (Certified ACS), Fisher Chemical™

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Specifications

PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, 97%, Thermo Scientific™

CAS: 58419-69-5 Molecular Formula: C9H8BrN3 Molecular Weight (g/mol): 238.088 MDL Number: MFCD04113600 InChI Key: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonym: 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole PubChem CID: 2776489 IUPAC Name: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

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PubChem CID	2776489
CAS	58419-69-5
Molecular Weight (g/mol)	238.088
MDL Number	MFCD04113600
SMILES	C1=CC(=CC=C1CBr)N2C=NC=N2
Synonym	1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole
IUPAC Name	1-[4-(bromomethyl)phenyl]-1,2,4-triazole
InChI Key	NOUAEJFAVOHNSY-UHFFFAOYSA-N
Molecular Formula	C9H8BrN3

m-Xylylene dibromide, 97%

CAS: 626-15-3 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000178 InChI Key: OXHOPZLBSSTTBU-UHFFFAOYSA-N Synonym: 1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene PubChem CID: 69373 IUPAC Name: 1,3-bis(bromomethyl)benzene SMILES: C1=CC(=CC(=C1)CBr)CBr

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Specifications

PubChem CID	69373
CAS	626-15-3
Molecular Weight (g/mol)	263.96
MDL Number	MFCD00000178
SMILES	C1=CC(=CC(=C1)CBr)CBr
Synonym	1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene
IUPAC Name	1,3-bis(bromomethyl)benzene
InChI Key	OXHOPZLBSSTTBU-UHFFFAOYSA-N
Molecular Formula	C8H8Br2

1,2-Benzenedimethanol, 97%

CAS: 612-14-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004626 InChI Key: XMUZQOKACOLCSS-UHFFFAOYSA-N Synonym: 1,2-benzenedimethanol,1,2-phenylenedimethanol,phthalyl alcohol,1,2-dihydroxymethylbenzene,o-xylene-alpha,alpha'-diol,2-hydroxymethyl phenyl methanol,benzenedimethanol,o-xylylene glycol,1,2-di hydroxymethyl benzene,2-hydroxymethylbenzenemethanol PubChem CID: 69153 IUPAC Name: [2-(hydroxymethyl)phenyl]methanol SMILES: OCC1=CC=CC=C1CO

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PubChem CID	69153
CAS	612-14-6
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00004626
SMILES	OCC1=CC=CC=C1CO
Synonym	1,2-benzenedimethanol,1,2-phenylenedimethanol,phthalyl alcohol,1,2-dihydroxymethylbenzene,o-xylene-alpha,alpha'-diol,2-hydroxymethyl phenyl methanol,benzenedimethanol,o-xylylene glycol,1,2-di hydroxymethyl benzene,2-hydroxymethylbenzenemethanol
IUPAC Name	[2-(hydroxymethyl)phenyl]methanol
InChI Key	XMUZQOKACOLCSS-UHFFFAOYSA-N
Molecular Formula	C8H10O2

(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%

CAS: 20445-31-2 Molecular Formula: C10H9F3O3 Molecular Weight (g/mol): 234.17 MDL Number: MFCD00004184 InChI Key: JJYKJUXBWFATTE-UHFFFAOYNA-N Synonym: +-mtpa,unii-27o5l9t1wm,r-moshers acid,+-mosher's acid,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-alpha-methoxy-alpha-trifluoromethylphenylacetic acid,r-mtpa,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-a-methoxy-a-trifluoromethylphenylacetic acid,r-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid PubChem CID: 2723917 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F

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PubChem CID	2723917
CAS	20445-31-2
Molecular Weight (g/mol)	234.17
MDL Number	MFCD00004184
SMILES	COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym	+-mtpa,unii-27o5l9t1wm,r-moshers acid,+-mosher's acid,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-alpha-methoxy-alpha-trifluoromethylphenylacetic acid,r-mtpa,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-a-methoxy-a-trifluoromethylphenylacetic acid,r-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid
IUPAC Name	(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
InChI Key	JJYKJUXBWFATTE-UHFFFAOYNA-N
Molecular Formula	C10H9F3O3

2-(Bromomethyl)benzeneboronic acid, 97%

CAS: 91983-14-1 Molecular Formula: C7H8BBrO2 Molecular Weight (g/mol): 214.85 MDL Number: MFCD01318941 InChI Key: MYVJCOQGXCONPE-UHFFFAOYSA-N Synonym: 2-bromomethylphenylboronic acid,2-bromomethyl benzeneboronic acid,2-bromomethyl phenylboronic acid,2-bromomethyl phenyl boronic acid,2-bromomethylphenylboronicacid,2-boronobenzyl bromide,o-boronobenzyl bromide,2-bromomethylphenyl boronic acid,pubchem7781 PubChem CID: 2773278 IUPAC Name: [2-(bromomethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC=C1CBr

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PubChem CID	2773278
CAS	91983-14-1
Molecular Weight (g/mol)	214.85
MDL Number	MFCD01318941
SMILES	OB(O)C1=CC=CC=C1CBr
Synonym	2-bromomethylphenylboronic acid,2-bromomethyl benzeneboronic acid,2-bromomethyl phenylboronic acid,2-bromomethyl phenyl boronic acid,2-bromomethylphenylboronicacid,2-boronobenzyl bromide,o-boronobenzyl bromide,2-bromomethylphenyl boronic acid,pubchem7781
IUPAC Name	[2-(bromomethyl)phenyl]boronic acid
InChI Key	MYVJCOQGXCONPE-UHFFFAOYSA-N
Molecular Formula	C7H8BBrO2

(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%

CAS: 17257-71-5 Molecular Formula: C10H8F3O3 Molecular Weight (g/mol): 233.17 MDL Number: MFCD00064200 InChI Key: JJYKJUXBWFATTE-VIFPVBQESA-M Synonym: s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid PubChem CID: 6992788 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F

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Specifications

PubChem CID	6992788
CAS	17257-71-5
Molecular Weight (g/mol)	233.17
MDL Number	MFCD00064200
SMILES	CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F
Synonym	s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid
IUPAC Name	(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
InChI Key	JJYKJUXBWFATTE-VIFPVBQESA-M
Molecular Formula	C10H8F3O3

3-Fluoro-4-methoxybenzyl bromide, 98%

CAS: 331-61-3 Molecular Formula: C8H8BrFO Molecular Weight (g/mol): 219.05 MDL Number: MFCD00671768 InChI Key: KLWYYWVSFYRPLM-UHFFFAOYSA-N Synonym: 3-fluoro-4-methoxybenzyl bromide,4-bromomethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylbromide,4-bromomethyl-2-fluoro-1-methoxy-benzene,benzene, 4-bromomethyl-2-fluoro-1-methoxy,pubchem4923,acmc-1ckmo,4-bromomethyl-2-fluoroanisole PubChem CID: 2774553 IUPAC Name: 4-(bromomethyl)-2-fluoro-1-methoxybenzene SMILES: COC1=CC=C(CBr)C=C1F

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Specifications

PubChem CID	2774553
CAS	331-61-3
Molecular Weight (g/mol)	219.05
MDL Number	MFCD00671768
SMILES	COC1=CC=C(CBr)C=C1F
Synonym	3-fluoro-4-methoxybenzyl bromide,4-bromomethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylbromide,4-bromomethyl-2-fluoro-1-methoxy-benzene,benzene, 4-bromomethyl-2-fluoro-1-methoxy,pubchem4923,acmc-1ckmo,4-bromomethyl-2-fluoroanisole
IUPAC Name	4-(bromomethyl)-2-fluoro-1-methoxybenzene
InChI Key	KLWYYWVSFYRPLM-UHFFFAOYSA-N
Molecular Formula	C8H8BrFO

4-[4-(Bromomethyl)phenyl]-1,2,3-thiadiazole, 97%, Thermo Scientific™

CAS: 163798-92-3 Molecular Formula: C9H7BrN2S Molecular Weight (g/mol): 255.13 MDL Number: MFCD00052102 InChI Key: DGHQOPZIGDRUIT-UHFFFAOYSA-N Synonym: 4-4-bromomethyl phenyl-1,2,3-thiadiazole,1,2,3-thiadiazole,4-4-bromomethyl phenyl,4-4-bromomethyl phenyl thiadiazole,4-1,2,3-thiadiazol-4-yl benzyl bromide,4-4-bromomethylphenyl-1,2,3-thiadiazole,4-4-bromomethyl-phenyl-1,2,3 thiadiazole PubChem CID: 2776454 IUPAC Name: 4-[4-(bromomethyl)phenyl]thiadiazole SMILES: BrCC1=CC=C(C=C1)C1=CSN=N1

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Specifications

PubChem CID	2776454
CAS	163798-92-3
Molecular Weight (g/mol)	255.13
MDL Number	MFCD00052102
SMILES	BrCC1=CC=C(C=C1)C1=CSN=N1
Synonym	4-4-bromomethyl phenyl-1,2,3-thiadiazole,1,2,3-thiadiazole,4-4-bromomethyl phenyl,4-4-bromomethyl phenyl thiadiazole,4-1,2,3-thiadiazol-4-yl benzyl bromide,4-4-bromomethylphenyl-1,2,3-thiadiazole,4-4-bromomethyl-phenyl-1,2,3 thiadiazole
IUPAC Name	4-[4-(bromomethyl)phenyl]thiadiazole
InChI Key	DGHQOPZIGDRUIT-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2S

4-Fluorobenzyl bromide, 97%

CAS: 459-46-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000359 InChI Key: NVNPLEPBDPJYRZ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide PubChem CID: 68021 IUPAC Name: 1-(bromomethyl)-4-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1

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Specifications

PubChem CID	68021
CAS	459-46-1
Molecular Weight (g/mol)	189.03
MDL Number	MFCD00000359
SMILES	FC1=CC=C(CBr)C=C1
Synonym	4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide
IUPAC Name	1-(bromomethyl)-4-fluorobenzene
InChI Key	NVNPLEPBDPJYRZ-UHFFFAOYSA-N
Molecular Formula	C7H6BrF

3-(Benzyloxymethyl)cyclobutanone, 97%, Thermo Scientific Chemicals

CAS: 172324-67-3 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD09055138 InChI Key: FHBBBGYOVFMVIB-UHFFFAOYSA-N PubChem CID: 11819850 IUPAC Name: 3-(phenylmethoxymethyl)cyclobutan-1-one SMILES: O=C1CC(COCC2=CC=CC=C2)C1

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Specifications

PubChem CID	11819850
CAS	172324-67-3
Molecular Weight (g/mol)	190.24
MDL Number	MFCD09055138
SMILES	O=C1CC(COCC2=CC=CC=C2)C1
IUPAC Name	3-(phenylmethoxymethyl)cyclobutan-1-one
InChI Key	FHBBBGYOVFMVIB-UHFFFAOYSA-N
Molecular Formula	C12H14O2

4-Aminobenzyl cyanide, 99%

CAS: 3544-25-0 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00007912 InChI Key: YCWRFIYBUQBHJI-UHFFFAOYSA-N Synonym: 4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl PubChem CID: 77000 IUPAC Name: 2-(4-aminophenyl)acetonitrile SMILES: NC1=CC=C(CC#N)C=C1

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PubChem CID	77000
CAS	3544-25-0
Molecular Weight (g/mol)	132.17
MDL Number	MFCD00007912
SMILES	NC1=CC=C(CC#N)C=C1
Synonym	4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl
IUPAC Name	2-(4-aminophenyl)acetonitrile
InChI Key	YCWRFIYBUQBHJI-UHFFFAOYSA-N
Molecular Formula	C8H8N2

4-Chlorobenzyl alcohol, 99%

CAS: 873-76-7 Molecular Formula: C₇H₇ClO Molecular Weight (g/mol): 142.58 MDL Number: MFCD00004652 InChI Key: PTHGDVCPCZKZKR-UHFFFAOYSA-N Synonym: 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 PubChem CID: 13397 IUPAC Name: (4-chlorophenyl)methanol SMILES: C1=CC(=CC=C1CO)Cl

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Specifications

PubChem CID	13397
CAS	873-76-7
Molecular Weight (g/mol)	142.58
MDL Number	MFCD00004652
SMILES	C1=CC(=CC=C1CO)Cl
Synonym	4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120
IUPAC Name	(4-chlorophenyl)methanol
InChI Key	PTHGDVCPCZKZKR-UHFFFAOYSA-N
Molecular Formula	C₇H₇ClO

4-Biphenylmethanol, 98+%

CAS: 3597-91-9 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00004660 InChI Key: AXCHZLOJGKSWLV-UHFFFAOYSA-N Synonym: 4-biphenylmethanol,4-phenylphenyl methanol,biphenyl-4-ylmethanol,4-phenylbenzyl alcohol,p-phenylbenzyl alcohol,4-hydroxymethylbiphenyl,1,1'-biphenyl-4-ylmethanol,biphenyl-4-methanol,4-hydroxymethyl biphenyl,4hmb PubChem CID: 19186 IUPAC Name: (4-phenylphenyl)methanol SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CO

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Specifications

PubChem CID	19186
CAS	3597-91-9
Molecular Weight (g/mol)	184.238
MDL Number	MFCD00004660
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)CO
Synonym	4-biphenylmethanol,4-phenylphenyl methanol,biphenyl-4-ylmethanol,4-phenylbenzyl alcohol,p-phenylbenzyl alcohol,4-hydroxymethylbiphenyl,1,1'-biphenyl-4-ylmethanol,biphenyl-4-methanol,4-hydroxymethyl biphenyl,4hmb
IUPAC Name	(4-phenylphenyl)methanol
InChI Key	AXCHZLOJGKSWLV-UHFFFAOYSA-N
Molecular Formula	C13H12O

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