Basic information
- Standard SMILES
COC(=O)c1ccc2c(c1)COc1cc([N+](=O)[O-])ccc1-2- InChIKey
PHMFKYNRHJEBRU-UHFFFAOYSA-N- Molecular formula
- C15H11NO5
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.06372245
Names & identifiers
- Preferred name
- 3-Nitro-6H-benzo[c]chromene-8-carboxylic acid methyl ester
- IUPAC
- methyl 3-nitro-6H-benzo[c]chromene-8-carboxylate
Names & synonyms
SCHEMBL205835PHMFKYNRHJEBRU-UHFFFAOYSA-N3-Nitro-6H-benzo[c]chromene-8-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59611069
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 421
Related reactions
6 records
Compound notes
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