Phenanthridine-3-carboxylic acid, 5,6-dihydro-5-methyl-6-oxo-
Basic information
- CAS
39180-46-6- Standard SMILES
Cn1c(=O)c2ccccc2c2ccc(C(=O)O)cc21- InChIKey
POWQIXGTAKAJCR-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- Phenanthridine-3-carboxylic acid, 5,6-dihydro-5-methyl-6-oxo-
- IUPAC
- 5-methyl-6-oxophenanthridine-3-carboxylic acid
Names & synonyms
BRN 0482976Phenanthridine-3-carboxylic acid, 5,6-dihydro-5-methyl-6-oxo-5,6-Dihydro-5-methyl-6-oxophenanthridine-3-carboxylic acidAcido 5-metil-6-fenantridon-3-carbossilico [Italian]Acido 5-metil-6-fenantridon-3-carbossilico39180-46-6DTXSID601924155-22-06-00430 (Beilstein Handbook Reference)RefChem:368580DTXCID701149065-methyl-6-oxo-5,6-dihydrophenanthridine-3-carboxylic acid
Database identifiers
- CAS
39180-46-6- PubChem CID
- 217667
- DTXSID
DTXSID60192415- Nikkaji
- J69.850D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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