Cas no 75151-39-2 (2-Propenoic acid, 3-hydroxy-3-methoxy-, methyl ester)
75151-39-2 structure
Product Name:2-Propenoic acid, 3-hydroxy-3-methoxy-, methyl ester
CAS No:75151-39-2
MF:C5H8O4
MW:132.114622116089
CID:2801077
PubChem ID:610944
Update Time:2025-04-21
2-Propenoic acid, 3-hydroxy-3-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 75151-39-2
- 2-Propenoic acid, 3-hydroxy-3-methoxy-, methyl ester
- DTXSID10346284
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- Inchi： 1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3,6H,1-2H3
- InChI Key： BYYYYPBUMVENKB-UHFFFAOYSA-N
- SMILES： O(C)C(=CC(=O)OC)O
Computed Properties
- Exact Mass: 132.04225873Da
- Monoisotopic Mass: 132.04225873Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.7
- Topological Polar Surface Area: 55.8?2
2-Propenoic acid, 3-hydroxy-3-methoxy-, methyl ester Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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