Cas no 50977-29-2 (2-Propenoic acid, 1-hydroxy-1-methylethyl ester)
50977-29-2 structure
Product Name:2-Propenoic acid, 1-hydroxy-1-methylethyl ester
CAS No:50977-29-2
MF:C6H10O3
MW:130.141802310944
CID:363679
PubChem ID:22726323
Update Time:2025-04-19
2-Propenoic acid, 1-hydroxy-1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 1-hydroxy-1-methylethyl ester
- 2-hydroxypropan-2-yl prop-2-enoate
- DTXSID20627834
- 50977-29-2
- SCHEMBL1371810
-
- Inchi： 1S/C6H10O3/c1-4-5(7)9-6(2,3)8/h4,8H,1H2,2-3H3
- InChI Key： OLPSPGUBQWMHJZ-UHFFFAOYSA-N
- SMILES： O(C(C=C)=O)C(C)(C)O
Computed Properties
- Exact Mass: 130.063
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 126
- 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: 0.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-Propenoic acid, 1-hydroxy-1-methylethyl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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