Cas no 29721-79-7 (2-Propenoic acid,2-methyl-, hydroxybutyl ester)
29721-79-7 structure
Product Name:2-Propenoic acid,2-methyl-, hydroxybutyl ester
CAS No:29721-79-7
MF:C8H14O3
MW:158.194962978363
CID:276086
PubChem ID:3015483
Update Time:2025-04-19
2-Propenoic acid,2-methyl-, hydroxybutyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,2-methyl-, hydroxybutyl ester
- 1-hydroxybutyl 2-methylprop-2-enoate
- Hydroxybutyl methacrylate
- EINECS 249-808-7
- 29721-79-7
- NS00051857
- SCHEMBL14871
- DTXSID20952173
-
- Inchi: 1S/C8H14O3/c1-4-5-7(9)11-8(10)6(2)3/h7,9H,2,4-5H2,1,3H3
- InChI Key: QNMHRRCVEGQTPS-UHFFFAOYSA-N
- SMILES: O(C(C(=C)C)=O)C(CCC)O
Computed Properties
- Exact Mass: 158.09432
- Monoisotopic Mass: 158.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 151
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-Propenoic acid,2-methyl-, hydroxybutyl ester 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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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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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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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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