Organic zwitterions

Organic zwitterions (from the German Zwitter meaning hermaphrodite) are organic molecules that contain the same number of positively charged functional groups and negatively charged functional groups; also called inner salts.

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4,5-Difluoro-2-nitroaniline, 98%

CAS: 78056-39-0 Molecular Formula: C6H4F2N2O2 Molecular Weight (g/mol): 174.11 MDL Number: MFCD00010876 InChI Key: WDMCABATCGQAKK-UHFFFAOYSA-N Synonym: 3,4-difluoro-6-nitroaniline,benzenamine, 4,5-difluoro-2-nitro,4,5-difluoro-2-nitro-aniline,4,5-difluoro-2-nitrophenylamine,2-nitro-4,5-difluoroaniline,2-amino-4,5-difluoronitrobenzene,4,5-difluoro-2-nitro-phenylamine,4,5-difluoro-2-nitrobenzenamine,pubchem2121,acmc-209pdb PubChem CID: 157151 IUPAC Name: 4,5-difluoro-2-nitroaniline SMILES: NC1=CC(F)=C(F)C=C1[N+]([O-])=O

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Specifications

PubChem CID	157151
CAS	78056-39-0
Molecular Weight (g/mol)	174.11
MDL Number	MFCD00010876
SMILES	NC1=CC(F)=C(F)C=C1[N+]([O-])=O
Synonym	3,4-difluoro-6-nitroaniline,benzenamine, 4,5-difluoro-2-nitro,4,5-difluoro-2-nitro-aniline,4,5-difluoro-2-nitrophenylamine,2-nitro-4,5-difluoroaniline,2-amino-4,5-difluoronitrobenzene,4,5-difluoro-2-nitro-phenylamine,4,5-difluoro-2-nitrobenzenamine,pubchem2121,acmc-209pdb
IUPAC Name	4,5-difluoro-2-nitroaniline
InChI Key	WDMCABATCGQAKK-UHFFFAOYSA-N
Molecular Formula	C6H4F2N2O2

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2-Nitroethanol, 97%

CAS: 625-48-9 Molecular Formula: C₂H₅NO₃ Molecular Weight (g/mol): 91.07 MDL Number: MFCD00007405 InChI Key: KIPMDPDAFINLIV-UHFFFAOYSA-N Synonym: ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol PubChem CID: 12252 IUPAC Name: 2-nitroethanol SMILES: C(CO)[N+](=O)[O-]

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Specifications

PubChem CID	12252
CAS	625-48-9
Molecular Weight (g/mol)	91.07
MDL Number	MFCD00007405
SMILES	C(CO)[N+](=O)[O-]
Synonym	ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol
IUPAC Name	2-nitroethanol
InChI Key	KIPMDPDAFINLIV-UHFFFAOYSA-N
Molecular Formula	C₂H₅NO₃

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3-Bromo-2-nitroaniline, 98%, Thermo Scientific Chemicals

CAS: 7138-15-0 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.022 MDL Number: MFCD08063248 InChI Key: GLKHLBAXHLAQBJ-UHFFFAOYSA-N Synonym: 3-bromo-2-nitrobenzenamine,2-amino-6-bromonitrobenzene,3-bromo-2-nitrophenylamine,3-bromo-2-nitro-phenylamine,pubchem3139,acmc-209oig,3-bromo-2-nitro-aniline,ksc376s4f,3-amino-2-nitrobromobenzene PubChem CID: 21852072 IUPAC Name: 3-bromo-2-nitroaniline SMILES: C1=CC(=C(C(=C1)Br)[N+](=O)[O-])N

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Specifications

PubChem CID	21852072
CAS	7138-15-0
Molecular Weight (g/mol)	217.022
MDL Number	MFCD08063248
SMILES	C1=CC(=C(C(=C1)Br)[N+](=O)[O-])N
Synonym	3-bromo-2-nitrobenzenamine,2-amino-6-bromonitrobenzene,3-bromo-2-nitrophenylamine,3-bromo-2-nitro-phenylamine,pubchem3139,acmc-209oig,3-bromo-2-nitro-aniline,ksc376s4f,3-amino-2-nitrobromobenzene
IUPAC Name	3-bromo-2-nitroaniline
InChI Key	GLKHLBAXHLAQBJ-UHFFFAOYSA-N
Molecular Formula	C6H5BrN2O2

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2-Amino-5-nitrobenzonitrile, 95%

CAS: 17420-30-3 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00007362 InChI Key: MGCGMYPNXAFGFA-UHFFFAOYSA-N Synonym: 5-nitroanthranilonitrile,2-cyano-4-nitroaniline,benzonitrile, 2-amino-5-nitro,2-kyan-4-nitroanilin,unii-sez79wra1j,2-amino-5-nitro-benzonitrile,ccris 9092,2-kyan-4-nitroanilin czech,aniline, 2-cyano-4-nitro,sez79wra1j PubChem CID: 28532 IUPAC Name: 2-amino-5-nitrobenzonitrile SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)N

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Specifications

PubChem CID	28532
CAS	17420-30-3
Molecular Weight (g/mol)	163.136
MDL Number	MFCD00007362
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C#N)N
Synonym	5-nitroanthranilonitrile,2-cyano-4-nitroaniline,benzonitrile, 2-amino-5-nitro,2-kyan-4-nitroanilin,unii-sez79wra1j,2-amino-5-nitro-benzonitrile,ccris 9092,2-kyan-4-nitroanilin czech,aniline, 2-cyano-4-nitro,sez79wra1j
IUPAC Name	2-amino-5-nitrobenzonitrile
InChI Key	MGCGMYPNXAFGFA-UHFFFAOYSA-N
Molecular Formula	C7H5N3O2

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Titanium(IV) isopropoxide, 98+%

CAS: 546-68-9 Molecular Formula: C₁₂H₂₈O₄Ti Molecular Weight (g/mol): 284.26 InChI Key: VXUYXOFXAQZZMF-UHFFFAOYSA-N Synonym: titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate PubChem CID: 11026 IUPAC Name: propan-2-olate;titanium(4+) SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

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Specifications

PubChem CID	11026
CAS	546-68-9
Molecular Weight (g/mol)	284.26
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
Synonym	titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate
IUPAC Name	propan-2-olate;titanium(4+)
InChI Key	VXUYXOFXAQZZMF-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₈O₄Ti

4-chloro-2-nitroaniline, 99%

CAS: 89-63-4 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.57 MDL Number: MFCD00007836 InChI Key: PBGKNXWGYQPUJK-UHFFFAOYSA-N Synonym: benzenamine, 4-chloro-2-nitro,p-chloro-o-nitroaniline,pcon,2-nitro-4-chloroaniline,red salt nbgl,devol red f,devol red salt f,red base ciba vi,red base irga vi,red salt ciba vi PubChem CID: 6979 IUPAC Name: 4-chloro-2-nitroaniline SMILES: NC1=CC=C(Cl)C=C1[N+]([O-])=O

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Specifications

PubChem CID	6979
CAS	89-63-4
Molecular Weight (g/mol)	172.57
MDL Number	MFCD00007836
SMILES	NC1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym	benzenamine, 4-chloro-2-nitro,p-chloro-o-nitroaniline,pcon,2-nitro-4-chloroaniline,red salt nbgl,devol red f,devol red salt f,red base ciba vi,red base irga vi,red salt ciba vi
IUPAC Name	4-chloro-2-nitroaniline
InChI Key	PBGKNXWGYQPUJK-UHFFFAOYSA-N
Molecular Formula	C6H5ClN2O2

Niobium(V) ethoxide, 99.99% (metals basis), Ta <500ppm

CAS: 3236-82-6 Molecular Formula: C10H25NbO5 Molecular Weight (g/mol): 318.21 MDL Number: MFCD00015122 InChI Key: ZTILUDNICMILKJ-UHFFFAOYSA-N Synonym: niobium ethoxide,niobium 5+ ethanolate,ethanol, niobium 5+ salt,niobium 5+ ion pentakis ethoxide,pentaethoxyniobium,niobium pentaethoxide,ethanol, niobium 5+ salt 5:1,acmc-1cmht,niobium v pentaethoxide,ethanolate; niobium 5+ PubChem CID: 160675 IUPAC Name: ethanolate;niobium(5+) SMILES: CCO[Nb](OCC)(OCC)(OCC)OCC

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Specifications

PubChem CID	160675
CAS	3236-82-6
Molecular Weight (g/mol)	318.21
MDL Number	MFCD00015122
SMILES	CCO[Nb](OCC)(OCC)(OCC)OCC
Synonym	niobium ethoxide,niobium 5+ ethanolate,ethanol, niobium 5+ salt,niobium 5+ ion pentakis ethoxide,pentaethoxyniobium,niobium pentaethoxide,ethanol, niobium 5+ salt 5:1,acmc-1cmht,niobium v pentaethoxide,ethanolate; niobium 5+
IUPAC Name	ethanolate;niobium(5+)
InChI Key	ZTILUDNICMILKJ-UHFFFAOYSA-N
Molecular Formula	C10H25NbO5

Zinc tert-butoxide

CAS: 4278-43-7 Molecular Formula: C8H18O2Zn Molecular Weight (g/mol): 211.61 MDL Number: MFCD00145545 InChI Key: DVGVEVPHJQJMPP-UHFFFAOYSA-N Synonym: zinc tert-butoxide,di-tert-butoxyzinc,acmc-20aj87,zinc bis 2-methylpropan-2-olate,zinc 2+ bis 2-methylpropan-2-olate,zinc 2+ ion bis 2-methylpropan-2-olate PubChem CID: 14178434 IUPAC Name: zinc;2-methylpropan-2-olate SMILES: CC(C)(C)[O-].CC(C)(C)[O-].[Zn+2]

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Specifications

PubChem CID	14178434
CAS	4278-43-7
Molecular Weight (g/mol)	211.61
MDL Number	MFCD00145545
SMILES	CC(C)(C)[O-].CC(C)(C)[O-].[Zn+2]
Synonym	zinc tert-butoxide,di-tert-butoxyzinc,acmc-20aj87,zinc bis 2-methylpropan-2-olate,zinc 2+ bis 2-methylpropan-2-olate,zinc 2+ ion bis 2-methylpropan-2-olate
IUPAC Name	zinc;2-methylpropan-2-olate
InChI Key	DVGVEVPHJQJMPP-UHFFFAOYSA-N
Molecular Formula	C8H18O2Zn

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5-(4-Nitrophenyl)-1H-tetrazole, 97%

CAS: 16687-60-8 Molecular Formula: C7H5N5O2 Molecular Weight (g/mol): 191.15 MDL Number: MFCD00068729 InChI Key: MIUOBAHGBPSRKY-UHFFFAOYSA-N Synonym: 5-4-nitrophenyl-1h-tetrazole,5-4-nitrophenyl-2h-tetrazole,5-4-nitro-phenyl-2h-tetrazole,5-4-nitrophenyl tetrazole,5-4-nitrophenyl-1h-1,2,3,4-tetrazole,5-4-nitro-phenyl-1h-tetrazole,5-4-nitrophenyl-2h-1,2,3,4-tetrazole,maybridge1_004022,acmc-1bt31 PubChem CID: 285163 IUPAC Name: 5-(4-nitrophenyl)-2H-tetrazole SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=NNN=N1

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Specifications

PubChem CID	285163
CAS	16687-60-8
Molecular Weight (g/mol)	191.15
MDL Number	MFCD00068729
SMILES	[O-][N+](=O)C1=CC=C(C=C1)C1=NNN=N1
Synonym	5-4-nitrophenyl-1h-tetrazole,5-4-nitrophenyl-2h-tetrazole,5-4-nitro-phenyl-2h-tetrazole,5-4-nitrophenyl tetrazole,5-4-nitrophenyl-1h-1,2,3,4-tetrazole,5-4-nitro-phenyl-1h-tetrazole,5-4-nitrophenyl-2h-1,2,3,4-tetrazole,maybridge1_004022,acmc-1bt31
IUPAC Name	5-(4-nitrophenyl)-2H-tetrazole
InChI Key	MIUOBAHGBPSRKY-UHFFFAOYSA-N
Molecular Formula	C7H5N5O2

Zirconium(IV) n-propoxide, 70% w/w in n-propanol, packaged under Argon in resealable ChemSeal™ bottles, Thermo Scientific Chemicals

CAS: 23519-77-9 Molecular Formula: C12H28O4Zr Molecular Weight (g/mol): 327.58 MDL Number: MFCD00015307 InChI Key: XPGAWFIWCWKDDL-UHFFFAOYSA-N Synonym: zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt PubChem CID: 90139 IUPAC Name: propan-1-olate;zirconium(4+) SMILES: CCCO[Zr](OCCC)(OCCC)OCCC

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Specifications

PubChem CID	90139
CAS	23519-77-9
Molecular Weight (g/mol)	327.58
MDL Number	MFCD00015307
SMILES	CCCO[Zr](OCCC)(OCCC)OCCC
Synonym	zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt
IUPAC Name	propan-1-olate;zirconium(4+)
InChI Key	XPGAWFIWCWKDDL-UHFFFAOYSA-N
Molecular Formula	C12H28O4Zr

Iron(III) isopropoxide, 98%

CAS: 14995-22-3 Molecular Formula: C9H21FeO3 Molecular Weight (g/mol): 233.109 MDL Number: MFCD00070436 InChI Key: QUHDSMAREWXWFM-UHFFFAOYSA-N Synonym: iron 3+ ;propan-2-olate,iron iii i-propoxide,triisopropoxyiron iii,2-propanol, iron 3+ salt 9ci,iron 3+ ion tris propan-2-olate,iron 3+ tris propan-2-olate,iron iii i-propoxide 99.9+%-fe PubChem CID: 11961763 IUPAC Name: iron(3+);propan-2-olate SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]

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Specifications

PubChem CID	11961763
CAS	14995-22-3
Molecular Weight (g/mol)	233.109
MDL Number	MFCD00070436
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]
Synonym	iron 3+ ;propan-2-olate,iron iii i-propoxide,triisopropoxyiron iii,2-propanol, iron 3+ salt 9ci,iron 3+ ion tris propan-2-olate,iron 3+ tris propan-2-olate,iron iii i-propoxide 99.9+%-fe
IUPAC Name	iron(3+);propan-2-olate
InChI Key	QUHDSMAREWXWFM-UHFFFAOYSA-N
Molecular Formula	C9H21FeO3

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5-Chloro-2-nitroaniline, 97%

CAS: 1635-61-6 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD00007776 InChI Key: ZCWXYZBQDNFULS-UHFFFAOYSA-N Synonym: 2-nitro-5-chloroaniline,benzenamine, 5-chloro-2-nitro,3-chloro-6-nitroaniline,5-chloro-2-nitrobenzeneamine,aniline, 5-chloro-2-nitro,2-amino-4-chloro-nitrobenzene,unii-656xjm4con,5-chloro-2-nitrobenzenamine,ccris 8934,5-chloro-2-nitro aniline PubChem CID: 74218 IUPAC Name: 5-chloro-2-nitroaniline SMILES: C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]

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Specifications

PubChem CID	74218
CAS	1635-61-6
Molecular Weight (g/mol)	172.568
MDL Number	MFCD00007776
SMILES	C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]
Synonym	2-nitro-5-chloroaniline,benzenamine, 5-chloro-2-nitro,3-chloro-6-nitroaniline,5-chloro-2-nitrobenzeneamine,aniline, 5-chloro-2-nitro,2-amino-4-chloro-nitrobenzene,unii-656xjm4con,5-chloro-2-nitrobenzenamine,ccris 8934,5-chloro-2-nitro aniline
IUPAC Name	5-chloro-2-nitroaniline
InChI Key	ZCWXYZBQDNFULS-UHFFFAOYSA-N
Molecular Formula	C6H5ClN2O2

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4-chloro-5-nitro-o-phenylenediamine, 98%

CAS: 67073-39-6 Molecular Formula: C6H6ClN3O2 Molecular Weight (g/mol): 187.58 MDL Number: MFCD03427594 InChI Key: LOQLMWFVXRZASN-UHFFFAOYSA-N Synonym: 4-chloro-5-nitro-o-phenylenediamine,4-chloro-5-nitro-1,2-benzenediamine,5-chloro-4-nitrobenzene-1,2-diamine,4-chloro-5-nitro-1,2-phenylenediamine,4-chloro-5-nitro-benzene-1,2-diamine,1,2-benzenediamine, 4-chloro-5-nitro PubChem CID: 5702618 IUPAC Name: 4-chloro-5-nitrobenzene-1,2-diamine SMILES: NC1=CC(Cl)=C(C=C1N)[N+]([O-])=O

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Specifications

PubChem CID	5702618
CAS	67073-39-6
Molecular Weight (g/mol)	187.58
MDL Number	MFCD03427594
SMILES	NC1=CC(Cl)=C(C=C1N)[N+]([O-])=O
Synonym	4-chloro-5-nitro-o-phenylenediamine,4-chloro-5-nitro-1,2-benzenediamine,5-chloro-4-nitrobenzene-1,2-diamine,4-chloro-5-nitro-1,2-phenylenediamine,4-chloro-5-nitro-benzene-1,2-diamine,1,2-benzenediamine, 4-chloro-5-nitro
IUPAC Name	4-chloro-5-nitrobenzene-1,2-diamine
InChI Key	LOQLMWFVXRZASN-UHFFFAOYSA-N
Molecular Formula	C6H6ClN3O2

Tantalum(V) methoxide

CAS: 865-35-0 Molecular Formula: C5H15O5Ta Molecular Weight (g/mol): 336.118 MDL Number: MFCD00058817 InChI Key: QASMZJKUEABJNR-UHFFFAOYSA-N PubChem CID: 12787641 IUPAC Name: methanolate;tantalum(5+) SMILES: C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]

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Specifications

PubChem CID	12787641
CAS	865-35-0
Molecular Weight (g/mol)	336.118
MDL Number	MFCD00058817
SMILES	C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]
IUPAC Name	methanolate;tantalum(5+)
InChI Key	QASMZJKUEABJNR-UHFFFAOYSA-N
Molecular Formula	C5H15O5Ta

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2-Nitro-2-methyl-1,3-propanediol, 99%, Thermo Scientific Chemicals

CAS: 77-49-6 Molecular Formula: C4H9NO4 Molecular Weight (g/mol): 135.12 MDL Number: MFCD00024812 InChI Key: LOTYADDQWWVBDJ-UHFFFAOYSA-N Synonym: 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy PubChem CID: 6480 IUPAC Name: 2-methyl-2-nitropropane-1,3-diol SMILES: CC(CO)(CO)[N+]([O-])=O

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Specifications

PubChem CID	6480
CAS	77-49-6
Molecular Weight (g/mol)	135.12
MDL Number	MFCD00024812
SMILES	CC(CO)(CO)[N+]([O-])=O
Synonym	2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy
IUPAC Name	2-methyl-2-nitropropane-1,3-diol
InChI Key	LOTYADDQWWVBDJ-UHFFFAOYSA-N
Molecular Formula	C4H9NO4

Organic zwitterions

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