Cas no 56146-92-0 (3-Cyclohexene-1-carboxylic acid, 1,3-dimethyl-, methyl ester)
56146-92-0 structure
Product Name:3-Cyclohexene-1-carboxylic acid, 1,3-dimethyl-, methyl ester
CAS No:56146-92-0
MF:C10H16O2
MW:168.232843399048
CID:349685
PubChem ID:12299189
Update Time:2025-04-19
3-Cyclohexene-1-carboxylic acid, 1,3-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-carboxylic acid, 1,3-dimethyl-, methyl ester
- methyl 1,3-dimethylcyclohex-3-ene-1-carboxylate
- 1-carbomethoxy-1,3-dimethylcyclohex-3-ene
- ULVFWYLWNCCUDP-UHFFFAOYSA-N
- DTXSID70486155
- 56146-92-0
-
- Inchi： 1S/C10H16O2/c1-8-5-4-6-10(2,7-8)9(11)12-3/h5H,4,6-7H2,1-3H3
- InChI Key： ULVFWYLWNCCUDP-UHFFFAOYSA-N
- SMILES： O(C)C(C1(C)CC(C)=CCC1)=O
Computed Properties
- Exact Mass: 168.11508
- Monoisotopic Mass: 168.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 218
- 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: 1.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-Cyclohexene-1-carboxylic acid, 1,3-dimethyl-, methyl ester Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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