Basic information
- CAS
39180-39-7- Standard SMILES
COC(=O)c1ccc2c(c1)nc(C)c1ccccc12- InChIKey
MJEVRGLXKDWWSL-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- 3-Phenanthridinecarboxylic acid, 6-methyl-, methyl ester
- IUPAC
- methyl 6-methylphenanthridine-3-carboxylate
Names & synonyms
Methyl 6-methyl-3-phenanthridinecarboxylate3-Phenanthridinecarboxylic acid, 6-methyl-, methyl esterBRN 04812943-Carbometossi-6-metilfenantridina3-Carbometossi-6-metilfenantridina [Italian]39180-39-7DTXSID401924135-22-03-00445 (Beilstein Handbook Reference)RefChem:281631DTXCID50114904methyl 6-methylphenanthridine-3-carboxylate
Database identifiers
- CAS
39180-39-7- PubChem CID
- 217665
- DTXSID
DTXSID40192413
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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