methyl 1-(2-hydroxyethyl)-2,4,9-trioxo-3H-benzo[f]indole-3-carboxylate
Basic information
- CAS
74014-06-5- Standard SMILES
COC(=O)C1C(=O)N(CCO)C2=C1C(=O)c1ccccc1C2=O- InChIKey
MQCYAMQQWLLNQO-UHFFFAOYSA-N- Molecular formula
- C16H13NO6
- Average molar mass
- 315.28 g/mol
- Monoisotopic mass
- 315.07428713
Names & identifiers
- Preferred name
- methyl 1-(2-hydroxyethyl)-2,4,9-trioxo-3H-benzo[f]indole-3-carboxylate
- IUPAC
- methyl 1-(2-hydroxyethyl)-2,4,9-trioxo-3H-benzo[f]indole-3-carboxylate
Names & synonyms
74014-06-5NSC345733methyl 1-(2-hydroxyethyl)-2,4,9-trioxo-3H-benzo[f]indole-3-carboxylateDTXSID30319470NSC-345733Methyl 1-(2-hydroxyethyl)-2,4,9-trioxo-2,3,4,9-tetrahydro-1H-benzo[f]indole-3-carboxylate
Database identifiers
- CAS
74014-06-5- PubChem CID
- 335585
- DTXSID
DTXSID30319470
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 622
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Compound notes
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