Ethyl 6-(hydroxyamino)-2-methoxy-5-oxobenzo[7]annulene-8-carboxylate
Basic information
- CAS
76004-15-4- Standard SMILES
CCOC(=O)c1cc(NO)c(=O)c2ccc(OC)cc2c1- InChIKey
QPJYOOHXSZKSAT-UHFFFAOYSA-N- Molecular formula
- C15H15NO5
- Average molar mass
- 289.28 g/mol
- Monoisotopic mass
- 289.09502258
Names & identifiers
- Preferred name
- Ethyl 6-(hydroxyamino)-2-methoxy-5-oxobenzo[7]annulene-8-carboxylate
- IUPAC
- ethyl 6-(hydroxyamino)-2-methoxy-5-oxobenzo[7]annulene-8-carboxylate
Names & synonyms
76004-15-4NSC348993ethyl 6-(hydroxyamino)-2-methoxy-5-oxobenzo[7]annulene-8-carboxylateDTXSID30319652NSC-348993Ethyl 6-(hydroxyamino)-2-methoxy-5-oxo-5H-benzo[7]annulene-8-carboxylate
Database identifiers
- CAS
76004-15-4- PubChem CID
- 336035
- DTXSID
DTXSID30319652
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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