
Organooxygen compounds
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5-Fluorosalicylaldehyde, 97%
CAS: 347-54-6 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 InChI Key: FDUBQNUDZOGOFE-UHFFFAOYSA-N Synonym: 5-fluorosalicylaldehyde,5-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxy benzaldehyde,pubchem1444,5-fluoro salicylaldehyde,5-?fluorosalicylaldehyde,acmc-209ia4,ksc492m4t,pharmabridge p-2996 PubChem CID: 2737328 IUPAC Name: 5-fluoro-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)O
PubChem CID | 2737328 |
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CAS | 347-54-6 |
Molecular Weight (g/mol) | 140.11 |
SMILES | C1=CC(=C(C=C1F)C=O)O |
Synonym | 5-fluorosalicylaldehyde,5-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxy benzaldehyde,pubchem1444,5-fluoro salicylaldehyde,5-?fluorosalicylaldehyde,acmc-209ia4,ksc492m4t,pharmabridge p-2996 |
IUPAC Name | 5-fluoro-2-hydroxybenzaldehyde |
InChI Key | FDUBQNUDZOGOFE-UHFFFAOYSA-N |
Molecular Formula | C7H5FO2 |
Imidazole-2-carboxaldehyde, 98%
CAS: 10111-08-7 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003544 InChI Key: XYHKNCXZYYTLRG-UHFFFAOYSA-N Synonym: imidazole-2-carboxaldehyde,2-formylimidazole,1h-imidazole-2-carboxaldehyde,imidazole-2-carbaldehyde,2-imidazolecarboxaldehyde,imidazole-2-aldehyde,1h-imidazolecarboxaldehyde,2-formyl imidazole,imidazol-2-carbaldehyde,2-formyl-1h-imidazole PubChem CID: 24955 IUPAC Name: 1H-imidazole-2-carbaldehyde SMILES: O=CC1=NC=CN1
PubChem CID | 24955 |
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CAS | 10111-08-7 |
Molecular Weight (g/mol) | 96.09 |
MDL Number | MFCD00003544 |
SMILES | O=CC1=NC=CN1 |
Synonym | imidazole-2-carboxaldehyde,2-formylimidazole,1h-imidazole-2-carboxaldehyde,imidazole-2-carbaldehyde,2-imidazolecarboxaldehyde,imidazole-2-aldehyde,1h-imidazolecarboxaldehyde,2-formyl imidazole,imidazol-2-carbaldehyde,2-formyl-1h-imidazole |
IUPAC Name | 1H-imidazole-2-carbaldehyde |
InChI Key | XYHKNCXZYYTLRG-UHFFFAOYSA-N |
Molecular Formula | C4H4N2O |
2-Chloro-4-methoxypyrimidine, 98%
CAS: 22536-63-6 Molecular Formula: C5H5ClN2O Molecular Weight (g/mol): 144.56 MDL Number: MFCD00194055 InChI Key: BDXYNMVQMBCTDB-UHFFFAOYSA-N Synonym: 2-chloro-4-methoxy-pyrimidine,pyrimidine, 2-chloro-4-methoxy,acmc-20a0n4,2-chloro4-methoxypyrimidine,4-methoxy-2-chloropyrimidine,ksc494k1r,2-chloro-4-methoxypyrimidine,2-chloro-4-methyloxy pyrimidine,2-chloro-4-methoxy-1,2-diazine PubChem CID: 588935 IUPAC Name: 2-chloro-4-methoxypyrimidine SMILES: COC1=NC(=NC=C1)Cl
PubChem CID | 588935 |
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CAS | 22536-63-6 |
Molecular Weight (g/mol) | 144.56 |
MDL Number | MFCD00194055 |
SMILES | COC1=NC(=NC=C1)Cl |
Synonym | 2-chloro-4-methoxy-pyrimidine,pyrimidine, 2-chloro-4-methoxy,acmc-20a0n4,2-chloro4-methoxypyrimidine,4-methoxy-2-chloropyrimidine,ksc494k1r,2-chloro-4-methoxypyrimidine,2-chloro-4-methyloxy pyrimidine,2-chloro-4-methoxy-1,2-diazine |
IUPAC Name | 2-chloro-4-methoxypyrimidine |
InChI Key | BDXYNMVQMBCTDB-UHFFFAOYSA-N |
Molecular Formula | C5H5ClN2O |
2-Amino-4'-bromoacetophenone hydrochloride, 97%, Thermo Scientific™
CAS: 5467-72-1 Molecular Formula: C8H8BrNO·ClH Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
PubChem CID | 2798216 |
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CAS | 5467-72-1 |
Molecular Weight (g/mol) | 250.52 |
MDL Number | MFCD00051998 |
SMILES | C1=CC(=CC=C1C(=O)CN)Br.Cl |
Synonym | 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl |
IUPAC Name | 2-amino-1-(4-bromophenyl)ethanone;hydrochloride |
InChI Key | ROAVTVXTYFSQEA-UHFFFAOYSA-N |
Molecular Formula | C8H8BrNO·ClH |
4-Hydroxy-3-methylbenzaldehyde, 98%
CAS: 15174-69-3 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00012360 InChI Key: BAKYASSDAXQKKY-UHFFFAOYSA-N Synonym: 4-hydroxy-3-methyl-benzaldehyde,benzaldehyde, 4-hydroxy-3-methyl,unii-p8cux6265j,3-methyl-4-hydroxybenzaldehyde,pubchem8134,acmc-1buur,6-hydroxy-m-tolualdehyde,intermediates-zcf02161,ksc494o2r,3-methyl-p-hydroxybenzaldehyde PubChem CID: 139901 IUPAC Name: 4-hydroxy-3-methylbenzaldehyde SMILES: CC1=CC(C=O)=CC=C1O
PubChem CID | 139901 |
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CAS | 15174-69-3 |
Molecular Weight (g/mol) | 136.15 |
MDL Number | MFCD00012360 |
SMILES | CC1=CC(C=O)=CC=C1O |
Synonym | 4-hydroxy-3-methyl-benzaldehyde,benzaldehyde, 4-hydroxy-3-methyl,unii-p8cux6265j,3-methyl-4-hydroxybenzaldehyde,pubchem8134,acmc-1buur,6-hydroxy-m-tolualdehyde,intermediates-zcf02161,ksc494o2r,3-methyl-p-hydroxybenzaldehyde |
IUPAC Name | 4-hydroxy-3-methylbenzaldehyde |
InChI Key | BAKYASSDAXQKKY-UHFFFAOYSA-N |
Molecular Formula | C8H8O2 |
4-Bromo-1-indanone, 97%, Thermo Scientific Chemicals
CAS: 15115-60-3 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.06 MDL Number: MFCD01719772 InChI Key: UVVYFYLSZIMKMC-UHFFFAOYSA-N Synonym: 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone PubChem CID: 98713 IUPAC Name: 4-bromo-2,3-dihydroinden-1-one SMILES: BrC1=CC=CC2=C1CCC2=O
PubChem CID | 98713 |
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CAS | 15115-60-3 |
Molecular Weight (g/mol) | 211.06 |
MDL Number | MFCD01719772 |
SMILES | BrC1=CC=CC2=C1CCC2=O |
Synonym | 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone |
IUPAC Name | 4-bromo-2,3-dihydroinden-1-one |
InChI Key | UVVYFYLSZIMKMC-UHFFFAOYSA-N |
Molecular Formula | C9H7BrO |
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde, 97%, Thermo Scientific Chemicals
CAS: 307308-03-8 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 InChI Key: CSPINDKIWMCRNX-UHFFFAOYSA-N Synonym: 4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carbaldehyde,4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carboxaldehyde,4h,5h,6h,7h-pyrazolo 1,5-a pyridine-3-carbaldehyde,4,5,6,7-tetrahydro-pyrazolo 1,5-a pyridine-3-carbaldehyde,pyrazolo 1,5-a pyridine-3-carboxaldehyde,4,5,6,7-tetrahydro-9ci,pyrazolo 1,5-a pyridine-3-carboxaldehyde, 4,5,6,7-tetrahydro-9ci PubChem CID: 45083680 IUPAC Name: 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde SMILES: C1CCN2C(=C(C=N2)C=O)C1
PubChem CID | 45083680 |
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CAS | 307308-03-8 |
Molecular Weight (g/mol) | 150.18 |
SMILES | C1CCN2C(=C(C=N2)C=O)C1 |
Synonym | 4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carbaldehyde,4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carboxaldehyde,4h,5h,6h,7h-pyrazolo 1,5-a pyridine-3-carbaldehyde,4,5,6,7-tetrahydro-pyrazolo 1,5-a pyridine-3-carbaldehyde,pyrazolo 1,5-a pyridine-3-carboxaldehyde,4,5,6,7-tetrahydro-9ci,pyrazolo 1,5-a pyridine-3-carboxaldehyde, 4,5,6,7-tetrahydro-9ci |
IUPAC Name | 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde |
InChI Key | CSPINDKIWMCRNX-UHFFFAOYSA-N |
Molecular Formula | C8H10N2O |
4-(2-Aminoethyl)morpholine, 98+%
CAS: 2038-03-1 Molecular Formula: C6H14N2O Molecular Weight (g/mol): 130.19 MDL Number: MFCD00006182 InChI Key: RWIVICVCHVMHMU-UHFFFAOYSA-N
CAS | 2038-03-1 |
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Molecular Weight (g/mol) | 130.19 |
MDL Number | MFCD00006182 |
InChI Key | RWIVICVCHVMHMU-UHFFFAOYSA-N |
Molecular Formula | C6H14N2O |
Di-tert-butyl malonate, 98%
CAS: 541-16-2 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C
PubChem CID | 68324 |
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CAS | 541-16-2 |
MDL Number | MFCD00008810 |
SMILES | CC(C)(C)OC(=O)CC(=O)OC(C)(C)C |
Synonym | di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate |
IUPAC Name | ditert-butyl propanedioate |
InChI Key | CLPHAYNBNTVRDI-UHFFFAOYSA-N |
3,5-Dichlorosalicylaldehyde, 98+%
CAS: 90-60-8 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00003320 InChI Key: FABVMBDCVAJXMB-UHFFFAOYSA-N Synonym: 3,5-dichlorosalicylaldehyde,benzaldehyde, 3,5-dichloro-2-hydroxy,2-hydroxy-3,5-dichlorobenzaldehyde,3,5-dichloro salicylal,salicylaldehyde, 3,5-dichloro,3,5-dichloro-2-hydroxy-benzaldehyde,pubchem8246,timtec-bb sbb003642,acmc-209r6w,salicylaldehyde,5-dichloro PubChem CID: 66660 IUPAC Name: 3,5-dichloro-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Cl)O)C=O)Cl
PubChem CID | 66660 |
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CAS | 90-60-8 |
Molecular Weight (g/mol) | 191.01 |
MDL Number | MFCD00003320 |
SMILES | C1=C(C=C(C(=C1Cl)O)C=O)Cl |
Synonym | 3,5-dichlorosalicylaldehyde,benzaldehyde, 3,5-dichloro-2-hydroxy,2-hydroxy-3,5-dichlorobenzaldehyde,3,5-dichloro salicylal,salicylaldehyde, 3,5-dichloro,3,5-dichloro-2-hydroxy-benzaldehyde,pubchem8246,timtec-bb sbb003642,acmc-209r6w,salicylaldehyde,5-dichloro |
IUPAC Name | 3,5-dichloro-2-hydroxybenzaldehyde |
InChI Key | FABVMBDCVAJXMB-UHFFFAOYSA-N |
Molecular Formula | C7H4Cl2O2 |
Diacetin, 50%, tech. grade, remainder triacetin and monoacetin
CAS: 25395-31-7 | C7H12O5 | 176.17 g/mol
Linear Formula | (CH3COO)2C3H5OH |
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Molecular Weight (g/mol) | 176.17 |
Density | 1.1875g/mL |
Name Note | pract., 98% |
Percent Purity | 50% |
Infrared Spectrum | Authentic |
RTECS Number | AK3325000 |
Formula Weight | 176.17 |
Saponification Value | 542 to 605mg KOH/g |
Boiling Point | 280.0°C |
Color | Colorless |
Physical Form | Liquid |
Chemical Name or Material | Diacetin |
Merck Index | 15, 2964 |
Assay Percent Range | 45% min. (GC) |
Concentration or Composition (by Analyte or Components) | 24 to 28% monoacetin, 41 to 47% diacetin, 22 to 28% triacetin (typically) |
CAS | 26446-35-5 |
MDL Number | MFCD00008717 |
Solubility Information | Solubility in water: soluble |
Packaging | Glass bottle |
Flash Point | 141°C |
Health Hazard 1 | HYGROSCOPIC |
Refractive Index | 1.4400 to 1.4500 |
TSCA | TSCA |
Molecular Formula | C7H12O5 |
EINECS Number | 246-941-2 |
Specific Gravity | 1.1875 |
2-Ethylhexanal, 96%
CAS: 123-05-7 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.21 MDL Number: MFCD00006987 InChI Key: LGYNIFWIKSEESD-UHFFFAOYSA-N Synonym: hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde PubChem CID: 31241 IUPAC Name: 2-ethylhexanal SMILES: CCCCC(CC)C=O
PubChem CID | 31241 |
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CAS | 123-05-7 |
Molecular Weight (g/mol) | 128.21 |
MDL Number | MFCD00006987 |
SMILES | CCCCC(CC)C=O |
Synonym | hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde |
IUPAC Name | 2-ethylhexanal |
InChI Key | LGYNIFWIKSEESD-UHFFFAOYSA-N |
Molecular Formula | C8H16O |
6-(Diethylamino)-3-pyridinylaldehyde, 97%, Thermo Scientific™
CAS: 578726-67-7 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.24 MDL Number: MFCD06200894 InChI Key: PCISUIMHLSRKGR-UHFFFAOYSA-N Synonym: 6-diethylamino pyridine-3-carbaldehyde,6-diethylamino-3-pyridinylaldehyde,6-diethylamino nicotinaldehyde,6-diethylamino-3-pyridinecarboxaldehyde PubChem CID: 2794806 IUPAC Name: 6-(diethylamino)pyridine-3-carbaldehyde SMILES: CCN(CC)C1=NC=C(C=O)C=C1
PubChem CID | 2794806 |
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CAS | 578726-67-7 |
Molecular Weight (g/mol) | 178.24 |
MDL Number | MFCD06200894 |
SMILES | CCN(CC)C1=NC=C(C=O)C=C1 |
Synonym | 6-diethylamino pyridine-3-carbaldehyde,6-diethylamino-3-pyridinylaldehyde,6-diethylamino nicotinaldehyde,6-diethylamino-3-pyridinecarboxaldehyde |
IUPAC Name | 6-(diethylamino)pyridine-3-carbaldehyde |
InChI Key | PCISUIMHLSRKGR-UHFFFAOYSA-N |
Molecular Formula | C10H14N2O |
(5-Bromopyrid-2-yl)methanol, 97%, Thermo Scientific™
CAS: 88139-91-7 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD04035597 InChI Key: RUCZFWMEACWFER-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxymethylpyridine,2-hydroxymethyl-5-bromopyridine,5-bromopyridin-2-yl methanol,5-bromo-2-hydroxymethyl pyridine,5-bromopyrid-2-yl methanol,5-bromo-2-pyridinemethanol,5-bromo-pyridin-2-yl-methanol,2-pyridinemethanol, 5-bromo,5-bromo-2-pyridyl methan-1-ol,5-bromopyridine-2-methanol PubChem CID: 5200169 IUPAC Name: (5-bromopyridin-2-yl)methanol SMILES: OCC1=CC=C(Br)C=N1
PubChem CID | 5200169 |
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CAS | 88139-91-7 |
Molecular Weight (g/mol) | 188.02 |
MDL Number | MFCD04035597 |
SMILES | OCC1=CC=C(Br)C=N1 |
Synonym | 5-bromo-2-hydroxymethylpyridine,2-hydroxymethyl-5-bromopyridine,5-bromopyridin-2-yl methanol,5-bromo-2-hydroxymethyl pyridine,5-bromopyrid-2-yl methanol,5-bromo-2-pyridinemethanol,5-bromo-pyridin-2-yl-methanol,2-pyridinemethanol, 5-bromo,5-bromo-2-pyridyl methan-1-ol,5-bromopyridine-2-methanol |
IUPAC Name | (5-bromopyridin-2-yl)methanol |
InChI Key | RUCZFWMEACWFER-UHFFFAOYSA-N |
Molecular Formula | C6H6BrNO |
Shikimic Acid, MP Biomedicals™
CAS: 138-59-0 Molecular Formula: C7H9O5- Molecular Weight (g/mol): 173.144 InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonym: shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid PubChem CID: 7057976 ChEBI: CHEBI:36208 IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O
PubChem CID | 7057976 |
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CAS | 138-59-0 |
Molecular Weight (g/mol) | 173.144 |
ChEBI | CHEBI:36208 |
SMILES | C1C(C(C(C=C1C(=O)[O-])O)O)O |
Synonym | shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid |
IUPAC Name | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate |
InChI Key | JXOHGGNKMLTUBP-HSUXUTPPSA-M |
Molecular Formula | C7H9O5- |