1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one
Basic information
- CAS
102791-33-3- Standard SMILES
O=c1oc2ccc([N+](=O)[O-])c3ccc4cccc1c4c23- InChIKey
WAKRBKMZTCRERT-UHFFFAOYSA-N- Molecular formula
- C15H7NO4
- Average molar mass
- 265.22 g/mol
- Monoisotopic mass
- 265.0375077
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one
- IUPAC
- 12-nitro-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one
- English name
- 1-nitro-5H-phenanthro(4,5-bcd)pyran-5-one
- Molecular formula
- C15H7NO4
- Molecular weight
- 265.22
Names & synonyms
1-Nitro-5H-phenanthro(4,5-bcd)pyran-5-one102791-33-3DTXSID501455111-NITRO-5H-PHENANTHRO[4,5-BCD]PYRAN-5-ONERefChem:76569DTXCID20680025H-Phenanthro(4,5-bcd)pyran-5-one, 1-nitro-CCRIS 22095H-Phenanthro[4,5-bcd]pyran-5-one, 1-nitro-BRN 4754483Y7T53729AY5H-Phenanthro[4,5-bcd]pyran-5-one, 1-nitro- (9CI)
Database identifiers
- CAS
102791-33-3- PubChem CID
- 124180
- DTXSID
DTXSID50145511- UNII
- Y7T53729AY
- Nikkaji
- J1.634.948H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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