Cas no 130422-89-8 (3-Cyclohexene-1-carboxylicacid, 5-methyl-)
130422-89-8 structure
Product Name:3-Cyclohexene-1-carboxylicacid, 5-methyl-
CAS No:130422-89-8
MF:C8H12O2
MW:140.179682731628
CID:102626
PubChem ID:14572584
Update Time:2025-04-18
3-Cyclohexene-1-carboxylicacid, 5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-carboxylicacid, 5-methyl-
- 3-Cyclohexene-1-carboxylic acid, 5-methyl- (9CI)
- 5-methylcyclohex-3-ene-1-carboxylic acid
- AKOS006383102
- SCHEMBL17011120
- 130422-89-8
- DTXSID70561815
-
- Inchi： 1S/C8H12O2/c1-6-3-2-4-7(5-6)8(9)10/h2-3,6-7H,4-5H2,1H3,(H,9,10)
- InChI Key： HKCPDPSBVNMCBM-UHFFFAOYSA-N
- SMILES： OC(C1CC=CC(C)C1)=O
Computed Properties
- Exact Mass: 140.08376
- Monoisotopic Mass: 140.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 161
- 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: 1.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Cyclohexene-1-carboxylicacid, 5-methyl- Related Literature
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
130422-89-8 (3-Cyclohexene-1-carboxylicacid, 5-methyl-) Related Products
- 4771-80-6(cyclohex-3-ene-1-carboxylic acid)
- 3813-52-3(Bicyclo2.2.1hept-5-ene-2,3-dicarboxylic Acid)
- 5708-19-0((1S)-cyclohex-3-ene-1-carboxylic acid)
- 5709-98-8((1R)-cyclohex-3-ene-1-carboxylic acid)
- 68514-28-3(Humic acids, potassium salts)
- 120-74-1(5-Norbornen-2-carboxylic acid)
- 1200-88-0(5-Norbornene-2-endo,3-exo-dicarboxylicacid)
- 2305-26-2(cis-4-Cyclohexene-1,2-dicarboxylic acid)
- 16646-42-7(1-methylcyclohex-3-ene-1-carboxylic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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