Cas no 34599-22-9 (1-Cyclohexene-1-carboxylic acid, 3,5-dimethyl- (9CI))
34599-22-9 structure
Product Name:1-Cyclohexene-1-carboxylic acid, 3,5-dimethyl- (9CI)
CAS No:34599-22-9
MF:C9H14O2
MW:154.206263065338
CID:294993
PubChem ID:45116564
Update Time:2025-04-19
1-Cyclohexene-1-carboxylic acid, 3,5-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-carboxylic acid, 3,5-dimethyl- (9CI)
- 1-Cyclohexene-1-carboxylicacid, 3,5-dimethyl-
- 3,5-dimethylcyclohexene-1-carboxylic acid
- DTXSID50668457
- 34599-22-9
- 3,5-Dimethylcyclohex-1-ene-1-carboxylic acid
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- Inchi： 1S/C9H14O2/c1-6-3-7(2)5-8(4-6)9(10)11/h4,6-7H,3,5H2,1-2H3,(H,10,11)
- InChI Key： GFWITHSLKJSFGB-UHFFFAOYSA-N
- SMILES： OC(C1=CC(C)CC(C)C1)=O
Computed Properties
- Exact Mass: 154.09942
- Monoisotopic Mass: 154.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 194
- 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
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 2.3
Experimental Properties
- PSA: 37.3
1-Cyclohexene-1-carboxylic acid, 3,5-dimethyl- (9CI) Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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