Cas no 894415-72-6 (1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6S)- (9CI))
894415-72-6 structure
Product Name:1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6S)- (9CI)
CAS No:894415-72-6
MF:C8H12O3
MW:156.179082870483
CID:714747
PubChem ID:45116544
Update Time:2025-04-19
1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6S)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6S)- (9CI)
- (4R,6S)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid
- 1-Cyclohexene-1-carboxylicacid, 6-hydroxy-4-methyl-, (4R,6S)-
- DTXSID90668451
- 894415-72-6
- (4R,6S)-6-Hydroxy-4-methylcyclohex-1-ene-1-carboxylic acid
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- Inchi： 1S/C8H12O3/c1-5-2-3-6(8(10)11)7(9)4-5/h3,5,7,9H,2,4H2,1H3,(H,10,11)/t5-,7+/m1/s1
- InChI Key： USANAFDCLKJQFV-VDTYLAMSSA-N
- SMILES： O[C@@H]1C(C(=O)O)=CC[C@@H](C)C1
Computed Properties
- Exact Mass: 156.079
- Monoisotopic Mass: 156.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 196
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5A^2
- XLogP3: 1.2
1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6S)- (9CI) Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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