Cas no 2495-43-4 (3-Cyclohexene-1-carboxylic acid, oxiranylmethyl ester)
2495-43-4 structure
Product Name:3-Cyclohexene-1-carboxylic acid, oxiranylmethyl ester
CAS No:2495-43-4
MF:C10H14O3
MW:182.216363430023
CID:1419932
PubChem ID:12640065
Update Time:2025-04-20
3-Cyclohexene-1-carboxylic acid, oxiranylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-carboxylic acid, oxiranylmethyl ester
- oxiran-2-ylmethyl cyclohex-3-ene-1-carboxylate
- 2495-43-4
- SCHEMBL427588
- (Oxiran-2-yl)methyl cyclohex-3-ene-1-carboxylate
- DTXSID80505321
-
- Inchi： 1S/C10H14O3/c11-10(13-7-9-6-12-9)8-4-2-1-3-5-8/h1-2,8-9H,3-7H2
- InChI Key： KUTROBBXLUEMDQ-UHFFFAOYSA-N
- SMILES： O1CC1COC(C1CC=CCC1)=O
Computed Properties
- Exact Mass: 182.09432
- Monoisotopic Mass: 182.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 222
- 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: 1.3
- Topological Polar Surface Area: 38.8?2
Experimental Properties
- PSA: 38.83
3-Cyclohexene-1-carboxylic acid, oxiranylmethyl ester Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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