Cas no 170080-85-0 (3-Cyclohexene-1-carbonylchloride, 4-methyl-, (S)- (9CI))
170080-85-0 structure
Product Name:3-Cyclohexene-1-carbonylchloride, 4-methyl-, (S)- (9CI)
CAS No:170080-85-0
MF:C8H11ClO
MW:158.625341653824
CID:111287
PubChem ID:12951476
Update Time:2025-04-18
3-Cyclohexene-1-carbonylchloride, 4-methyl-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-carbonylchloride, 4-methyl-, (S)- (9CI)
- (1S)-4-methylcyclohex-3-ene-1-carbonyl chloride
- 3-Cyclohexene-1-carbonyl chloride, 4-methyl-, (S)- (9CI)
- 170080-85-0
- DTXSID00513766
- (1S)-4-methyl-cyclohex-3-ene-1-carboxylic acid chloride
- SCHEMBL937997
- (1S)-4-Methyl-cyclohex-3-enecarboxylic acid chloride
- NZZITUYJLJVUTI-SSDOTTSWSA-N
-
- Inchi： 1S/C8H11ClO/c1-6-2-4-7(5-3-6)8(9)10/h2,7H,3-5H2,1H3/t7-/m1/s1
- InChI Key： NZZITUYJLJVUTI-SSDOTTSWSA-N
- SMILES： ClC([C@@H]1CC=C(C)CC1)=O
Computed Properties
- Exact Mass: 158.04993
- Monoisotopic Mass: 158.0498427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 172
- 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
- XLogP3: 2.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Cyclohexene-1-carbonylchloride, 4-methyl-, (S)- (9CI) Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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