Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate
Basic information
- CAS
74013-97-1- Standard SMILES
COC(=O)C1C(=O)NC2=C1C(=O)c1ccccc1C2=O- InChIKey
JJVUZCGSPZTSQM-UHFFFAOYSA-N- Molecular formula
- C14H9NO5
- Average molar mass
- 271.22 g/mol
- Monoisotopic mass
- 271.04807239
Names & identifiers
- Preferred name
- Methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate
- IUPAC
- methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylate
Names & synonyms
74013-97-1methyl 2,4,9-trioxo-1,3-dihydrobenzo[f]indole-3-carboxylateNSC345731DTXSID60319468NSC-345731Methyl 2,4,9-trioxo-2,3,4,9-tetrahydro-1H-benzo[f]indole-3-carboxylate
Database identifiers
- CAS
74013-97-1- PubChem CID
- 335583
- DTXSID
DTXSID60319468
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 562
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Related reactions
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Compound notes
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