6,7-Diacetoxy-1-methyl-1,2-dihydro-2-oxoquinoline-3-carboxylic acid
Basic information
- Standard SMILES
CC(=O)Oc1cc2cc(C(=O)O)c(=O)n(C)c2cc1OC(C)=O- InChIKey
QYHNEGPGIOBABV-UHFFFAOYSA-N- Molecular formula
- C15H13NO7
- Average molar mass
- 319.27 g/mol
Names & identifiers
- Preferred name
- 6,7-Diacetoxy-1-methyl-1,2-dihydro-2-oxoquinoline-3-carboxylic acid
- IUPAC
- 6,7-diacetyloxy-1-methyl-2-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL11054904QYHNEGPGIOBABV-UHFFFAOYSA-N6,7-diacetoxy-1-methyl-1,2-dihydro-2-oxoquinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 20448120
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 582
Related reactions
2 records
Compound notes
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