Cas no 61426-40-2 (1-Cycloheptene-1-propanoic acid, 2,7-dimethyl-)
61426-40-2 structure
Product Name:1-Cycloheptene-1-propanoic acid, 2,7-dimethyl-
CAS No:61426-40-2
MF:C12H20O2
MW:196.286004066467
CID:479891
PubChem ID:71395977
Update Time:2025-04-19
1-Cycloheptene-1-propanoic acid, 2,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cycloheptene-1-propanoic acid, 2,7-dimethyl-
- 3-(2,7-dimethylcyclohepten-1-yl)propanoic acid
- DTXSID20817571
- 3-(2,7-Dimethylcyclohept-1-en-1-yl)propanoic acid
- 61426-40-2
-
- Inchi： 1S/C12H20O2/c1-9-5-3-4-6-10(2)11(9)7-8-12(13)14/h9H,3-8H2,1-2H3,(H,13,14)
- InChI Key： NJQVWLMCBIWUIN-UHFFFAOYSA-N
- SMILES： OC(CCC1=C(C)CCCCC1C)=O
Computed Properties
- Exact Mass: 196.1464
- Monoisotopic Mass: 196.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 241
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
1-Cycloheptene-1-propanoic acid, 2,7-dimethyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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