3-Phenanthridinecarboxylic acid, 6-methoxy-
Basic information
- CAS
39180-49-9- Standard SMILES
COc1nc2cc(C(=O)O)ccc2c2ccccc12- InChIKey
MAIWAAOKNLTBPJ-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 3-Phenanthridinecarboxylic acid, 6-methoxy-
- IUPAC
- 6-methoxyphenanthridine-3-carboxylic acid
Names & synonyms
6-Methoxy-3-phenanthridinecarboxylic acid3-Phenanthridinecarboxylic acid, 6-methoxy-39180-49-9Acido 6-metossifenantridin-3-carbossilico [Italian]Acido 6-metossifenantridin-3-carbossilicoDTXSID80192417RefChem:281630DTXCID901149086-methoxyphenanthridine-3-carboxylic acid
Database identifiers
- CAS
39180-49-9- PubChem CID
- 217669
- DTXSID
DTXSID80192417
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
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Related reactions
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Compound notes
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