Basic information
- CAS
39161-52-9- Standard SMILES
O=C(O)c1ccc2c(c1)[nH]c(=O)c1ccccc12- InChIKey
QCZYYHNRVZRTGW-UHFFFAOYSA-N- Molecular formula
- C14H9NO3
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.05824315
Names & identifiers
- Preferred name
- 5,6-Dihydro-6-oxophenanthridine-3-carboxylic acid
- IUPAC
- 6-oxo-5H-phenanthridine-3-carboxylic acid
- English name
- 5,6-Dihydro-6-oxophenanthridine-3-carboxylic acid
- Molecular formula
- C14H9NO3
- Molecular weight
- 239.23
Names & synonyms
5,6-Dihydro-6-oxophenanthridine-3-carboxylic acid39161-52-96-oxo-5H-phenanthridine-3-carboxylic acidPhenanthridine-3-carboxylic acid, 5,6-dihydro-6-oxo-6-oxo-5,6-dihydrophenanthridine-3-carboxylic acidBRN 0479459Acido 6-fenantridon-3-carbossilico [Italian]Acido 6-fenantridon-3-carbossilicoSCHEMBL4969510CHEMBL1205058DTXSID90192403QCZYYHNRVZRTGW-UHFFFAOYSA-N
Show more names
3-Phenanthridinecarboxylic acid, 5,6-dihydro-6-oxo-
6-oxo-5,6-dihydro-3-phenanthridinecarboxylic acid
Database identifiers
- CAS
39161-52-9- PubChem CID
- 217664
- DTXSID
DTXSID90192403- ChEMBL
CHEMBL1205058- Nikkaji
- J69.851B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 389.4 · 389.4±21.0 °C(Predicted)
- Density
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- pka
- 4.17 · 4.17±0.20(Predicted)
Chemistry & industry
Suppliers1 total
凯方医药科技有限公司—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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