Cas no 67451-77-8 (3-(3-Methylcyclohexyl)propanoic acid)
67451-77-8 structure
Product Name:3-(3-Methylcyclohexyl)propanoic acid
CAS No:67451-77-8
MF:C10H18O2
MW:170.248723506927
CID:2797571
PubChem ID:57429405
Update Time:2025-04-21
3-(3-Methylcyclohexyl)propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- DTXSID50726369
- 67451-77-8
- AKOS014777948
- SCHEMBL3230054
- XEUUTAGUTIEOGB-UHFFFAOYSA-N
- 3-(3-Methylcyclohexyl)propanoic acid
-
- Inchi： 1S/C10H18O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
- InChI Key： XEUUTAGUTIEOGB-UHFFFAOYSA-N
- SMILES： OC(CCC1CCCC(C)C1)=O
Computed Properties
- Exact Mass: 170.130679813g/mol
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 37.3?2
3-(3-Methylcyclohexyl)propanoic acid Related Literature
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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