Organic acids and derivatives
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Triethylenetetramine-N,N,N',N″,N‴,N‴-hexaacetic acid, 98%
CAS: 869-52-3 Molecular Formula: C18H30N4O12 Molecular Weight (g/mol): 494.454 MDL Number: MFCD00004290 InChI Key: RAEOEMDZDMCHJA-UHFFFAOYSA-N Synonym: ttha,hexaacetic acid,triethylenetetraminehexaacetate,3,6,9,12-tetraazatetradecanedioic acid, 3,6,9,12-tetrakis carboxymethyl,triethylenetetranitrilohexaacetic acid,triethylenetetramine-n,n,n',n,n',n'-hexaacetic acid,triethylenetetramine-n,n,n',n',n,n-hexaacetic acid,triethylenetetramine-n,n,n',n,n',3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecanedioic acid,3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecane-1,14-dioic acid PubChem CID: 70088 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 70088 |
|---|---|
| CAS | 869-52-3 |
| Molecular Weight (g/mol) | 494.454 |
| MDL Number | MFCD00004290 |
| SMILES | C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | ttha,hexaacetic acid,triethylenetetraminehexaacetate,3,6,9,12-tetraazatetradecanedioic acid, 3,6,9,12-tetrakis carboxymethyl,triethylenetetranitrilohexaacetic acid,triethylenetetramine-n,n,n',n,n',n'-hexaacetic acid,triethylenetetramine-n,n,n',n',n,n-hexaacetic acid,triethylenetetramine-n,n,n',n,n',3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecanedioic acid,3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecane-1,14-dioic acid |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid |
| InChI Key | RAEOEMDZDMCHJA-UHFFFAOYSA-N |
| Molecular Formula | C18H30N4O12 |
Benzyl bromoacetate, 97%
CAS: 5437-45-6 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00000190 InChI Key: JHVLLYQQQYIWKX-UHFFFAOYSA-N Synonym: benzyl bromoacetate,bromoacetic acid benzyl ester,acetic acid, bromo-, phenylmethyl ester,merbac 35,caswell no. 082a,acetic acid, bromo-, benzyl ester,unii-64u2rk18d3,phenylmethyl 2-bromoacetate,epa pesticide chemical code 008710,benzyl bromacetate PubChem CID: 62576 IUPAC Name: benzyl 2-bromoacetate SMILES: C1=CC=C(C=C1)COC(=O)CBr
| PubChem CID | 62576 |
|---|---|
| CAS | 5437-45-6 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00000190 |
| SMILES | C1=CC=C(C=C1)COC(=O)CBr |
| Synonym | benzyl bromoacetate,bromoacetic acid benzyl ester,acetic acid, bromo-, phenylmethyl ester,merbac 35,caswell no. 082a,acetic acid, bromo-, benzyl ester,unii-64u2rk18d3,phenylmethyl 2-bromoacetate,epa pesticide chemical code 008710,benzyl bromacetate |
| IUPAC Name | benzyl 2-bromoacetate |
| InChI Key | JHVLLYQQQYIWKX-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Cyclopropanecarbonyl chloride, 98%
CAS: 4023-34-1 Molecular Formula: C4H5ClO Molecular Weight (g/mol): 104.533 MDL Number: MFCD00001277 InChI Key: ZOOSILUVXHVRJE-UHFFFAOYSA-N Synonym: cyclopropanecarboxylic acid chloride,cyclopropane carbonyl chloride,cyclopropylcarboxyl chloride,chloroformyl cyclopropane,cyclopropylcarbonyl chloride,chlorocarbonyl cyclopropane,cyclopropyl carbonyl chloride,cyclopropyl carboxylic chloride,cyclopropane carboxylic acid chloride,cyclopropanoyl chloride PubChem CID: 77637 IUPAC Name: cyclopropanecarbonyl chloride SMILES: C1CC1C(=O)Cl
| PubChem CID | 77637 |
|---|---|
| CAS | 4023-34-1 |
| Molecular Weight (g/mol) | 104.533 |
| MDL Number | MFCD00001277 |
| SMILES | C1CC1C(=O)Cl |
| Synonym | cyclopropanecarboxylic acid chloride,cyclopropane carbonyl chloride,cyclopropylcarboxyl chloride,chloroformyl cyclopropane,cyclopropylcarbonyl chloride,chlorocarbonyl cyclopropane,cyclopropyl carbonyl chloride,cyclopropyl carboxylic chloride,cyclopropane carboxylic acid chloride,cyclopropanoyl chloride |
| IUPAC Name | cyclopropanecarbonyl chloride |
| InChI Key | ZOOSILUVXHVRJE-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClO |
Chlorodifluoroacetic anhydride, 98+%
CAS: 2834-23-3 Molecular Formula: C4Cl2F4O3 Molecular Weight (g/mol): 242.93 MDL Number: MFCD00000774 InChI Key: VBJIFLOSOQGDRZ-UHFFFAOYSA-N Synonym: chlorodifluoroacetic anhydride,acetic acid, chlorodifluoro-, anhydride,acetic acid, 2-chloro-2,2-difluoro-, 1,1'-anhydride,chlorodifluoroacetic anhyride,chlorodifluoroacetic acid anhydride,2-chloro-2,2-difluoroacetic anhydride,2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate PubChem CID: 76074 IUPAC Name: (2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate SMILES: FC(F)(Cl)C(=O)OC(=O)C(F)(F)Cl
| PubChem CID | 76074 |
|---|---|
| CAS | 2834-23-3 |
| Molecular Weight (g/mol) | 242.93 |
| MDL Number | MFCD00000774 |
| SMILES | FC(F)(Cl)C(=O)OC(=O)C(F)(F)Cl |
| Synonym | chlorodifluoroacetic anhydride,acetic acid, chlorodifluoro-, anhydride,acetic acid, 2-chloro-2,2-difluoro-, 1,1'-anhydride,chlorodifluoroacetic anhyride,chlorodifluoroacetic acid anhydride,2-chloro-2,2-difluoroacetic anhydride,2-chloro-2,2-difluoroacetyl 2-chloro-2,2-difluoroacetate |
| IUPAC Name | (2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate |
| InChI Key | VBJIFLOSOQGDRZ-UHFFFAOYSA-N |
| Molecular Formula | C4Cl2F4O3 |
Sodium trifluoromethanesulfonate
CAS: 2926-30-9 Molecular Formula: CF3NaO3S Molecular Weight (g/mol): 172.053 MDL Number: MFCD00061607 InChI Key: XGPOMXSYOKFBHS-UHFFFAOYSA-M Synonym: sodium trifluoromethanesulfonate,sodium triflate,trifluoromethanesulfonic acid sodium salt,sodium trifluoro methane sulfonate,methanesulfonic acid, trifluoro-, sodium salt,pubchem23598,cf3so3na,acmc-1cfau,sodiumtrifluoromethanesulfonate,ksc491a1d PubChem CID: 23676748 IUPAC Name: sodium;trifluoromethanesulfonate SMILES: C(F)(F)(F)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23676748 |
|---|---|
| CAS | 2926-30-9 |
| Molecular Weight (g/mol) | 172.053 |
| MDL Number | MFCD00061607 |
| SMILES | C(F)(F)(F)S(=O)(=O)[O-].[Na+] |
| Synonym | sodium trifluoromethanesulfonate,sodium triflate,trifluoromethanesulfonic acid sodium salt,sodium trifluoro methane sulfonate,methanesulfonic acid, trifluoro-, sodium salt,pubchem23598,cf3so3na,acmc-1cfau,sodiumtrifluoromethanesulfonate,ksc491a1d |
| IUPAC Name | sodium;trifluoromethanesulfonate |
| InChI Key | XGPOMXSYOKFBHS-UHFFFAOYSA-M |
| Molecular Formula | CF3NaO3S |
N-Methylformanilide, 99%
CAS: 93-61-8 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD00003283 InChI Key: JIKUXBYRTXDNIY-UHFFFAOYSA-N Synonym: n-methylformanilide,formamide, n-methyl-n-phenyl,n-formyl-n-methylaniline,formanilide, n-methyl,methylphenylformamide,n-phenyl-n-methylformamide,n-methyl-n-formylaniline,n-methylformanilid,methyl phenyl formamide,n-methyl-n-phenyl-formamide PubChem CID: 66737 IUPAC Name: N-methyl-N-phenylformamide SMILES: CN(C=O)C1=CC=CC=C1
| PubChem CID | 66737 |
|---|---|
| CAS | 93-61-8 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD00003283 |
| SMILES | CN(C=O)C1=CC=CC=C1 |
| Synonym | n-methylformanilide,formamide, n-methyl-n-phenyl,n-formyl-n-methylaniline,formanilide, n-methyl,methylphenylformamide,n-phenyl-n-methylformamide,n-methyl-n-formylaniline,n-methylformanilid,methyl phenyl formamide,n-methyl-n-phenyl-formamide |
| IUPAC Name | N-methyl-N-phenylformamide |
| InChI Key | JIKUXBYRTXDNIY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
Trimethylsilyl trifluoromethanesulfonate, 99%
CAS: 27607-77-8 Molecular Formula: C4H9F3O3SSi Molecular Weight (g/mol): 222.253 MDL Number: MFCD00000406 InChI Key: FTVLMFQEYACZNP-UHFFFAOYSA-N Synonym: trimethylsilyl triflate,tmsotf,trifluoromethanesulfonic acid trimethylsilyl ester,trimethylsilyl trifluoromethylsulphonate,unii-z84v0cbh9j,methanesulfonic acid, trifluoro-, trimethylsilyl ester,trimethylsilyl trifluoromethylsulfonate,trimethylsllytrifluoromethanesulphonate,trimethylsilyl trifluoromethanesulphonate,trimethylsilyltrifluoromethanesulphonate PubChem CID: 65367 IUPAC Name: trimethylsilyl trifluoromethanesulfonate SMILES: C[Si](C)(C)OS(=O)(=O)C(F)(F)F
| PubChem CID | 65367 |
|---|---|
| CAS | 27607-77-8 |
| Molecular Weight (g/mol) | 222.253 |
| MDL Number | MFCD00000406 |
| SMILES | C[Si](C)(C)OS(=O)(=O)C(F)(F)F |
| Synonym | trimethylsilyl triflate,tmsotf,trifluoromethanesulfonic acid trimethylsilyl ester,trimethylsilyl trifluoromethylsulphonate,unii-z84v0cbh9j,methanesulfonic acid, trifluoro-, trimethylsilyl ester,trimethylsilyl trifluoromethylsulfonate,trimethylsllytrifluoromethanesulphonate,trimethylsilyl trifluoromethanesulphonate,trimethylsilyltrifluoromethanesulphonate |
| IUPAC Name | trimethylsilyl trifluoromethanesulfonate |
| InChI Key | FTVLMFQEYACZNP-UHFFFAOYSA-N |
| Molecular Formula | C4H9F3O3SSi |
N,N-Diethylnicotinamide, 97%
CAS: 59-26-7 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.23 MDL Number: MFCD00006386 InChI Key: NCYVXEGFNDZQCU-UHFFFAOYSA-N Synonym: nikethamide,n,n-diethylnicotinamide,nicethamide,corvin,anacardone,anacordone,carbamidal,coramine,corvotone,nicamide PubChem CID: 5497 IUPAC Name: N,N-diethylpyridine-3-carboxamide SMILES: CCN(CC)C(=O)C1=CN=CC=C1
| PubChem CID | 5497 |
|---|---|
| CAS | 59-26-7 |
| Molecular Weight (g/mol) | 178.23 |
| MDL Number | MFCD00006386 |
| SMILES | CCN(CC)C(=O)C1=CN=CC=C1 |
| Synonym | nikethamide,n,n-diethylnicotinamide,nicethamide,corvin,anacardone,anacordone,carbamidal,coramine,corvotone,nicamide |
| IUPAC Name | N,N-diethylpyridine-3-carboxamide |
| InChI Key | NCYVXEGFNDZQCU-UHFFFAOYSA-N |
| Molecular Formula | C10H14N2O |
(+)-Diethyl L-tartrate, 99+%
CAS: 87-91-2 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00009143 InChI Key: YSAVZVORKRDODB-UHFFFAOYNA-N Synonym: diethyl l-+-tartrate,2r,3r-diethyl 2,3-dihydroxysuccinate,l +-diethyl l-tartrate,+-diethyl l-tartrate,diethyl l-tartrate,diethyl-l-tartrate,unii-oq72cpy58z,l-+-tartaric acid diethyl ester,diethyl l-tartarate,tartaric acid, diethyl ester, r,r PubChem CID: 6993580 IUPAC Name: diethyl (2R,3R)-2,3-dihydroxybutanedioate SMILES: CCOC(=O)C(O)C(O)C(=O)OCC
| PubChem CID | 6993580 |
|---|---|
| CAS | 87-91-2 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00009143 |
| SMILES | CCOC(=O)C(O)C(O)C(=O)OCC |
| Synonym | diethyl l-+-tartrate,2r,3r-diethyl 2,3-dihydroxysuccinate,l +-diethyl l-tartrate,+-diethyl l-tartrate,diethyl l-tartrate,diethyl-l-tartrate,unii-oq72cpy58z,l-+-tartaric acid diethyl ester,diethyl l-tartarate,tartaric acid, diethyl ester, r,r |
| IUPAC Name | diethyl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | YSAVZVORKRDODB-UHFFFAOYNA-N |
| Molecular Formula | C8H14O6 |
Propargyl p-toluenesulfonate, 97%
CAS: 6165-76-0 Molecular Formula: C10H10O3S Molecular Weight (g/mol): 210.247 MDL Number: MFCD00078365 InChI Key: LMBVCSFXFFROTA-UHFFFAOYSA-N Synonym: propargyl p-toluenesulfonate,propargyl tosylate,prop-2-yn-1-yl 4-methylbenzenesulfonate,p-toluenesulfonic acid, 2-propynyl ester,2-propyn-1-ol, 4-methylbenzenesulfonate,ccris 9146,p-toluenesulfonic acid propargyl ester,propargylp-toluenesulfonate,propargyl p-toluene sulfonate,acmc-209mv7 PubChem CID: 22547 IUPAC Name: prop-2-ynyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC#C
| PubChem CID | 22547 |
|---|---|
| CAS | 6165-76-0 |
| Molecular Weight (g/mol) | 210.247 |
| MDL Number | MFCD00078365 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC#C |
| Synonym | propargyl p-toluenesulfonate,propargyl tosylate,prop-2-yn-1-yl 4-methylbenzenesulfonate,p-toluenesulfonic acid, 2-propynyl ester,2-propyn-1-ol, 4-methylbenzenesulfonate,ccris 9146,p-toluenesulfonic acid propargyl ester,propargylp-toluenesulfonate,propargyl p-toluene sulfonate,acmc-209mv7 |
| IUPAC Name | prop-2-ynyl 4-methylbenzenesulfonate |
| InChI Key | LMBVCSFXFFROTA-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3S |
Benzo[b]furan-2-boronic acid, 98%
CAS: 98437-24-2 Molecular Formula: C8H7BO3 Molecular Weight (g/mol): 161.95 MDL Number: MFCD00236019 InChI Key: PKRRNTJIHGOMRC-UHFFFAOYSA-N Synonym: benzofuran-2-boronic acid,benzo b furan-2-boronic acid,benzofuran-2-ylboronic acid,2-benzofuranboronic acid,2-benzofuranylboronic acid,2,3-benzo b furan-2-boronic acid,2-boronobenzo b furan,1-benzofuran-2-yl boronic acid,1-benzofuran-2-boronic acid PubChem CID: 2776266 IUPAC Name: 1-benzofuran-2-ylboronic acid SMILES: OB(O)C1=CC2=CC=CC=C2O1
| PubChem CID | 2776266 |
|---|---|
| CAS | 98437-24-2 |
| Molecular Weight (g/mol) | 161.95 |
| MDL Number | MFCD00236019 |
| SMILES | OB(O)C1=CC2=CC=CC=C2O1 |
| Synonym | benzofuran-2-boronic acid,benzo b furan-2-boronic acid,benzofuran-2-ylboronic acid,2-benzofuranboronic acid,2-benzofuranylboronic acid,2,3-benzo b furan-2-boronic acid,2-boronobenzo b furan,1-benzofuran-2-yl boronic acid,1-benzofuran-2-boronic acid |
| IUPAC Name | 1-benzofuran-2-ylboronic acid |
| InChI Key | PKRRNTJIHGOMRC-UHFFFAOYSA-N |
| Molecular Formula | C8H7BO3 |
6-Methylnicotinamide, 98%
CAS: 6960-22-1 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00006342 InChI Key: IJXDURUAYOKSIS-UHFFFAOYSA-N PubChem CID: 96351 IUPAC Name: 6-methylpyridine-3-carboxamide SMILES: CC1=NC=C(C=C1)C(=O)N
| PubChem CID | 96351 |
|---|---|
| CAS | 6960-22-1 |
| Molecular Weight (g/mol) | 136.154 |
| MDL Number | MFCD00006342 |
| SMILES | CC1=NC=C(C=C1)C(=O)N |
| IUPAC Name | 6-methylpyridine-3-carboxamide |
| InChI Key | IJXDURUAYOKSIS-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |
Trifluoromethanesulfonamide, 96%
CAS: 421-85-2 Molecular Formula: CH2F3NO2S Molecular Weight (g/mol): 149.09 MDL Number: MFCD00068714 InChI Key: KAKQVSNHTBLJCH-UHFFFAOYSA-N Synonym: trifluoromethanesulphonamide,trifluoromethane sulfonamide,trifluoromethylsulfonamide,1,1,1-trifluoromethanesulfonamide,chembl67511,methanesulfonamide, 1,1,1-trifluoro,1bcd,trifluoromethyl sulfonamide,triflamide,trifluorometanesulfonamide PubChem CID: 79001 IUPAC Name: trifluoromethanesulfonamide SMILES: NS(=O)(=O)C(F)(F)F
| PubChem CID | 79001 |
|---|---|
| CAS | 421-85-2 |
| Molecular Weight (g/mol) | 149.09 |
| MDL Number | MFCD00068714 |
| SMILES | NS(=O)(=O)C(F)(F)F |
| Synonym | trifluoromethanesulphonamide,trifluoromethane sulfonamide,trifluoromethylsulfonamide,1,1,1-trifluoromethanesulfonamide,chembl67511,methanesulfonamide, 1,1,1-trifluoro,1bcd,trifluoromethyl sulfonamide,triflamide,trifluorometanesulfonamide |
| IUPAC Name | trifluoromethanesulfonamide |
| InChI Key | KAKQVSNHTBLJCH-UHFFFAOYSA-N |
| Molecular Formula | CH2F3NO2S |
1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone, 98%
CAS: 7226-23-5 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.175 MDL Number: MFCD00006550 InChI Key: GUVUOGQBMYCBQP-UHFFFAOYSA-N Synonym: 1,3-dimethyl-3,4,5,6-tetrahydro-2 1h-pyrimidinone,1,3-dimethyltetrahydropyrimidin-2 1h-one,dmpu,dimethylpropyleneurea,2 1h-pyrimidinone, tetrahydro-1,3-dimethyl,n,n'-dimethylpropyleneurea,n,n'-dimethyltrimethyleneurea,ccris 4322,n,n'-dimethylpropylene urea,tetrahydro-1,3-dimethyl-2 1h pyrimidine PubChem CID: 81646 IUPAC Name: 1,3-dimethyl-1,3-diazinan-2-one SMILES: CN1CCCN(C1=O)C
| PubChem CID | 81646 |
|---|---|
| CAS | 7226-23-5 |
| Molecular Weight (g/mol) | 128.175 |
| MDL Number | MFCD00006550 |
| SMILES | CN1CCCN(C1=O)C |
| Synonym | 1,3-dimethyl-3,4,5,6-tetrahydro-2 1h-pyrimidinone,1,3-dimethyltetrahydropyrimidin-2 1h-one,dmpu,dimethylpropyleneurea,2 1h-pyrimidinone, tetrahydro-1,3-dimethyl,n,n'-dimethylpropyleneurea,n,n'-dimethyltrimethyleneurea,ccris 4322,n,n'-dimethylpropylene urea,tetrahydro-1,3-dimethyl-2 1h pyrimidine |
| IUPAC Name | 1,3-dimethyl-1,3-diazinan-2-one |
| InChI Key | GUVUOGQBMYCBQP-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2O |
Methyl (S)-(-)-lactate, 97%
CAS: 27871-49-4 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00064265 InChI Key: LPEKGGXMPWTOCB-VKHMYHEASA-N Synonym: methyl s---lactate,methyl l-lactate,s-methyl lactate,--methyl l-lactate,s-lactic acid methyl ester,methyl 2s-2-hydroxypropanoate,--methyl lactate,methyl s-2-hydroxypropionate,propanoic acid, 2-hydroxy-, methyl ester, 2s,--lactic acid methyl ester PubChem CID: 94386 ChEBI: CHEBI:83222 IUPAC Name: methyl (2S)-2-hydroxypropanoate SMILES: COC(=O)[C@H](C)O
| PubChem CID | 94386 |
|---|---|
| CAS | 27871-49-4 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:83222 |
| MDL Number | MFCD00064265 |
| SMILES | COC(=O)[C@H](C)O |
| Synonym | methyl s---lactate,methyl l-lactate,s-methyl lactate,--methyl l-lactate,s-lactic acid methyl ester,methyl 2s-2-hydroxypropanoate,--methyl lactate,methyl s-2-hydroxypropionate,propanoic acid, 2-hydroxy-, methyl ester, 2s,--lactic acid methyl ester |
| IUPAC Name | methyl (2S)-2-hydroxypropanoate |
| InChI Key | LPEKGGXMPWTOCB-VKHMYHEASA-N |
| Molecular Formula | C4H8O3 |