Cas no 106203-50-3 (4H-Pyran-2-carboxaldehyde, 3-hydroxy-4-oxo-)
106203-50-3 structure
Product Name:4H-Pyran-2-carboxaldehyde, 3-hydroxy-4-oxo-
CAS No:106203-50-3
MF:C6H4O4
MW:140.09356212616
CID:1173548
Update Time:2024-07-25
4H-Pyran-2-carboxaldehyde, 3-hydroxy-4-oxo- Chemical and Physical Properties
Names and Identifiers
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- 4H-Pyran-2-carboxaldehyde, 3-hydroxy-4-oxo-
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- MDL： MFCD24680653
- Inchi： 1S/C6H4O4/c7-3-5-6(9)4(8)1-2-10-5/h1-3,9H
- InChI Key： FFYKXYYUGGGAKO-UHFFFAOYSA-N
- SMILES： C1(C=O)OC=CC(=O)C=1O
Computed Properties
- Exact Mass: 140.011
- Monoisotopic Mass: 140.011
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.6A^2
4H-Pyran-2-carboxaldehyde, 3-hydroxy-4-oxo- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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