Cas no 13463-71-3 (2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester)
13463-71-3 structure
Product Name:2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
- (3-hydroxy-2,2-dimethylpropyl) 2-methylprop-2-enoate
- 3-hydroxy-2,2-dimethylpropyl methacrylate
- 3-hydroxy-2,2-dimethylpropyl 2-methylprop-2-enoate
- Methacrylic acid 3-hydroxy-2,2-dimethylpropyl ester
- ONMLAAZEQUPQSE-UHFFFAOYSA-N
- 13463-71-3
- EINECS 236-676-0
- NS00024349
- DTXSID00158838
- SCHEMBL27278
-
- Inchi: 1S/C9H16O3/c1-7(2)8(11)12-6-9(3,4)5-10/h10H,1,5-6H2,2-4H3
- InChI Key: ONMLAAZEQUPQSE-UHFFFAOYSA-N
- SMILES: O(C(C(=C)C)=O)CC(C)(C)CO
Computed Properties
- Exact Mass: 172.10998
- Monoisotopic Mass: 172.109944
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 182
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 46.5
Experimental Properties
- Density: 0.995
- Boiling Point: 261.1°Cat760mmHg
- Flash Point: 104.1°C
- Refractive Index: 1.45
- PSA: 46.53
2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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