Basic information
- CAS
52979-46-1- Standard SMILES
COC(=O)c1cc(=O)c2cc(C(=O)O)ccc2[nH]1- InChIKey
DIHIDGCAZGNJTG-UHFFFAOYSA-N- Molecular formula
- C12H9NO5
- Average molar mass
- 247.2 g/mol
- Monoisotopic mass
- 247.04807239
Names & identifiers
- Preferred name
- 2-methoxycarbonyl-4-oxo-1H-quinoline-6-carboxylic acid
- IUPAC
- 2-methoxycarbonyl-4-oxo-1H-quinoline-6-carboxylic acid
Names & synonyms
52979-46-1SCHEMBL2904885DTXSID9012120112-Methyl 1,4-dihydro-4-oxo-2,6-quinolinedicarboxylate2-(Methoxycarbonyl)-4-oxo-1,4-dihydroquinoline-6-carboxylic acid
Database identifiers
- CAS
52979-46-1- PubChem CID
- 22017461
- DTXSID
DTXSID901212011
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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