Basic information
- CAS
58868-06-7- Standard SMILES
COc1ccc(OC)c2c(=O)c(C)c(C(=O)O)[nH]c12- InChIKey
GQVBPAAEDKJNPP-UHFFFAOYSA-N- Molecular formula
- C13H13NO5
- Average molar mass
- 263.25 g/mol
- Monoisotopic mass
- 263.07937252
Names & identifiers
- Preferred name
- 5,8-dimethoxy-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
- IUPAC
- 5,8-dimethoxy-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
Names & synonyms
NSC27900658868-06-7DTXSID10313951NSC-2790065,8-Dimethoxy-3-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
Database identifiers
- CAS
58868-06-7- PubChem CID
- 322285
- DTXSID
DTXSID10313951
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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