Acetonyl methoxatin
Basic information
- CAS
73030-04-3- Standard SMILES
CC(=O)CC1(O)C(=O)c2cc(C(=O)O)[nH]c2-c2c(C(=O)O)cc(C(=O)O)nc21- InChIKey
YQTWHQXGPCJKAP-UHFFFAOYSA-N- Molecular formula
- C17H12N2O9
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 388.05427996
Names & identifiers
- Preferred name
- Acetonyl methoxatin
- IUPAC
- 5-hydroxy-4-oxo-5-(2-oxopropyl)-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
- English name
- acetonyl methoxatin
- Molecular formula
- C17H12N2O9
- Molecular weight
- 388.29
Names & synonyms
Acetonyl methoxatin73030-04-31H-Pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-5-hydroxy-4-oxo-5-(2-oxopropyl)-RefChem:1090115-hydroxy-4-oxo-5-(2-oxopropyl)-4,5-dihydro-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acidSCHEMBL17938157DTXSID609938031H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-5-hydroxy-4-oxo-5-(2-oxopropyl)-
Database identifiers
- CAS
73030-04-3- PubChem CID
- 189780
- DTXSID
DTXSID60993803- Nikkaji
- J430.621J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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