Cas no 57314-38-2 (2-Propenoic acid, 3-(1,3-dioxolan-2-yl)-, methyl ester, (E)-)
57314-38-2 structure
Product Name:2-Propenoic acid, 3-(1,3-dioxolan-2-yl)-, methyl ester, (E)-
CAS No:57314-38-2
MF:C7H10O4
MW:158.151902675629
CID:345799
PubChem ID:71444212
Update Time:2025-04-19
2-Propenoic acid, 3-(1,3-dioxolan-2-yl)-, methyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(1,3-dioxolan-2-yl)-, methyl ester, (E)-
- methyl 3-(1,3-dioxolan-2-yl)prop-2-enoate
- 57314-38-2
- DTXSID10853004
-
- Inchi： 1S/C7H10O4/c1-9-6(8)2-3-7-10-4-5-11-7/h2-3,7H,4-5H2,1H3
- InChI Key： JFNAQIGEPPSVOU-UHFFFAOYSA-N
- SMILES： O1CCOC1C=CC(=O)OC
Computed Properties
- Exact Mass: 158.0579
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 158
- 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
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
2-Propenoic acid, 3-(1,3-dioxolan-2-yl)-, methyl ester, (E)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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