Cas no 159910-03-9 (3-Cyclohexene-1-carboxylicacid, 3,4-dimethyl-, (1S)-)
159910-03-9 structure
Product Name:3-Cyclohexene-1-carboxylicacid, 3,4-dimethyl-, (1S)-
CAS No:159910-03-9
MF:C9H14O2
MW:154.206263065338
CID:109373
PubChem ID:25775437
Update Time:2025-04-18
3-Cyclohexene-1-carboxylicacid, 3,4-dimethyl-, (1S)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-carboxylicacid, 3,4-dimethyl-, (1S)-
- (1S)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
- 3-Cyclohexene-1-carboxylicacid,3,4-dimethyl-,(1S)-(9CI)
- SCHEMBL14205690
- 159910-03-9
- DTXSID40649750
-
- Inchi： 1S/C9H14O2/c1-6-3-4-8(9(10)11)5-7(6)2/h8H,3-5H2,1-2H3,(H,10,11)/t8-/m0/s1
- InChI Key： RKHBXKQTJHREJG-QMMMGPOBSA-N
- SMILES： OC([C@@H]1CC(C)=C(C)CC1)=O
Computed Properties
- Exact Mass: 154.09942
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 204
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Cyclohexene-1-carboxylicacid, 3,4-dimethyl-, (1S)- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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