1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)-
Basic information
- CAS
109899-85-6- Standard SMILES
O=C(CC(=O)c1ccccc1O)c1cccc([N+](=O)[O-])c1- InChIKey
WDADIVYQICQOPD-UHFFFAOYSA-N- Molecular formula
- C15H11NO5
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.06372245
Names & identifiers
- Preferred name
- 1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)-
- IUPAC
- 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione
Names & synonyms
1-(2-hydroxyphenyl)-3-(3-nitrophenyl)propane-1,3-dione1,3-Propanedione, 1-(2-hydroxyphenyl)-3-(3-nitrophenyl)-109899-85-6Oprea1_765184DTXSID40402347
Database identifiers
- CAS
109899-85-6- PubChem CID
- 4360002
- DTXSID
DTXSID40402347
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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