Cas no 29960-42-7 (Cyclohexenecarboxylic acid)
Cyclohexenecarboxylic acid structure
Product Name:Cyclohexenecarboxylic acid
CAS No:29960-42-7
MF:C7H10O2
MW:126.1531
CID:238035
Update Time:2024-01-26
Cyclohexenecarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- Cyclohexenecarboxylic acid
-
- Inchi： InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9)
- InChI Key： NMEZJSDUZQOPFE-UHFFFAOYSA-N
- SMILES： C1(C(O)=O)CCCCC=1
Computed Properties
- Exact Mass: 126.0681
- Monoisotopic Mass: 126.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Color/Form: 透明固體
- Density: 1.101
- Melting Point: 38.0 °C
- Boiling Point: 133-135℃ (15 mmHg)
- Flash Point: >110℃
- Refractive Index: 1.5
- PSA: 37.3
Cyclohexenecarboxylic acid Security Information
- Storage Condition：Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
Cyclohexenecarboxylic acid Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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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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