Cas no 532413-88-0 (2-Propenoic acid, 2-methyl-, (5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester (9CI))
532413-88-0 structure
Product Name:2-Propenoic acid, 2-methyl-, (5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester (9CI)
CAS No:532413-88-0
MF:C10H10O5
MW:210.183403491974
CID:1019646
PubChem ID:45093175
Update Time:2025-04-20
2-Propenoic acid, 2-methyl-, (5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid, 2-methyl-, (5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester (9CI)
- (5-hydroxy-4-oxopyran-2-yl)methyl 2-methylprop-2-enoate
- 532413-88-0
- (5-Hydroxy-4-oxo-4H-pyran-2-yl)methyl 2-methylprop-2-enoate
- DTXSID10667148
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- Inchi： 1S/C10H10O5/c1-6(2)10(13)15-4-7-3-8(11)9(12)5-14-7/h3,5,12H,1,4H2,2H3
- InChI Key： SVEWISKSLRDWCO-UHFFFAOYSA-N
- SMILES： O1C=C(C(C=C1COC(C(=C)C)=O)=O)O
Computed Properties
- Exact Mass: 210.053
- Monoisotopic Mass: 210.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 375
- 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
- Topological Polar Surface Area: 72.8A^2
- XLogP3: 0.6
2-Propenoic acid, 2-methyl-, (5-hydroxy-4-oxo-4H-pyran-2-yl)methyl ester (9CI) Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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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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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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