Methyl 4-hydroxy-2-oxo-4-pyridin-3-ylbut-3-enoate
Basic information
- CAS
623158-57-6- Standard SMILES
COC(=O)C(=O)C=C(O)c1cccnc1- InChIKey
YMJKNNUEBPIQHY-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- Methyl 4-hydroxy-2-oxo-4-pyridin-3-ylbut-3-enoate
- IUPAC
- methyl 4-hydroxy-2-oxo-4-pyridin-3-ylbut-3-enoate
Names & synonyms
methyl 4-hydroxy-2-oxo-4-pyridin-3-ylbut-3-enoate623158-57-6SCHEMBL629545SCHEMBL629546DTXSID60427678DUNPFPXOWHOVMR-UHFFFAOYSA-NMethyl 4-hydroxy-2-oxo-4-(pyridin-3-yl)but-3-enoate2-Hydroxy4-oxo4-pyridin-3-ylbut-2-enoic acid methyl ester2-Hydroxy-4-oxo4-pyridin-3-ylbut-2-enoic acid methyl ester
Database identifiers
- CAS
623158-57-6- PubChem CID
- 7063802
- DTXSID
DTXSID60427678
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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