Cas no 357418-53-2 (3-Cyclohexene-1-carboxylicacid,1-methyl-,methylester,(1S)-(9CI))
357418-53-2 structure
Product Name:3-Cyclohexene-1-carboxylicacid,1-methyl-,methylester,(1S)-(9CI)
CAS No:357418-53-2
MF:C9H14O2
MW:154.206263065338
CID:920651
PubChem ID:45090163
Update Time:2025-04-19
3-Cyclohexene-1-carboxylicacid,1-methyl-,methylester,(1S)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 3-Cyclohexene-1-carboxylicacid,1-methyl-,methylester,(1S)-(9CI)
- 357418-53-2
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- Inchi： 1S/C9H14O2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-4H,5-7H2,1-2H3/t9-/m1/s1
- InChI Key： GLCJULYDLTXOEN-SECBINFHSA-N
- SMILES： O(C)C([C@]1(C)CC=CCC1)=O
Computed Properties
- Exact Mass: 154.09900
- Monoisotopic Mass: 154.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2
Experimental Properties
- PSA: 26.30000
- LogP: 1.90580
3-Cyclohexene-1-carboxylicacid,1-methyl-,methylester,(1S)-(9CI) Related Literature
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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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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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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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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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