Cas no 184032-60-8 (1-Cyclohexene-1-carboxylic acid, 3-methyl- (9CI))
184032-60-8 structure
Product Name:1-Cyclohexene-1-carboxylic acid, 3-methyl- (9CI)
CAS No:184032-60-8
MF:C8H12O2
MW:140.179682731628
CID:114233
PubChem ID:45116546
Update Time:2025-04-18
1-Cyclohexene-1-carboxylic acid, 3-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-carboxylic acid, 3-methyl- (9CI)
- 1-Cyclohexene-1-carboxylicacid, 3-methyl-
- 3-methylcyclohexene-1-carboxylic acid
- AKOS006379002
- DTXSID10668453
- SCHEMBL6372307
- 184032-60-8
- 3-Methylcyclohex-1-ene-1-carboxylic acid
-
- Inchi： 1S/C8H12O2/c1-6-3-2-4-7(5-6)8(9)10/h5-6H,2-4H2,1H3,(H,9,10)
- InChI Key： LOCKEEOWCBAPGR-UHFFFAOYSA-N
- SMILES： OC(C1=CC(C)CCC1)=O
Computed Properties
- Exact Mass: 140.08376
- Monoisotopic Mass: 140.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 170
- 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
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 2
Experimental Properties
- PSA: 37.3
1-Cyclohexene-1-carboxylic acid, 3-methyl- (9CI) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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