Cas no 23451-03-8 (2-Propenoic acid,2-hydroxycyclohexyl ester)
23451-03-8 structure
Product Name:2-Propenoic acid,2-hydroxycyclohexyl ester
CAS No:23451-03-8
MF:C9H14O3
MW:170.205663204193
CID:252072
PubChem ID:22182933
Update Time:2025-04-19
2-Propenoic acid,2-hydroxycyclohexyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,2-hydroxycyclohexyl ester
- (2-hydroxycyclohexyl) prop-2-enoate
- 2-Hydroxycyclohexyl acrylate
- Acrylicacid, 2-hydroxycyclohexyl ester (8CI)
- Aronix TO1315
- TO 1315
- 2-Hydroxycyclohexyl prop-2-enoate
- DTXSID70623341
- SCHEMBL5508517
- 23451-03-8
-
- Inchi: 1S/C9H14O3/c1-2-9(11)12-8-6-4-3-5-7(8)10/h2,7-8,10H,1,3-6H2
- InChI Key: IVDYCSFRQCNQRY-UHFFFAOYSA-N
- SMILES: O(C(C=C)=O)C1CCCCC1O
Computed Properties
- Exact Mass: 170.094
- Monoisotopic Mass: 170.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 177
- 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
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 1.4
2-Propenoic acid,2-hydroxycyclohexyl ester Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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