3-(4,5-Dimethoxy-2-nitrophenyl)-1-phenylprop-2-en-1-one
Basic information
- CAS
57178-93-5- Standard SMILES
COc1cc(C=CC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC- InChIKey
SQBIFAVKGJYWNA-UHFFFAOYSA-N- Molecular formula
- C17H15NO5
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.09502258
Names & identifiers
- Preferred name
- 3-(4,5-Dimethoxy-2-nitrophenyl)-1-phenylprop-2-en-1-one
- IUPAC
- 3-(4,5-dimethoxy-2-nitrophenyl)-1-phenylprop-2-en-1-one
Names & synonyms
57178-93-53-(4,5-dimethoxy-2-nitrophenyl)-1-phenylprop-2-en-1-oneDTXSID60972638
Database identifiers
- CAS
57178-93-5- PubChem CID
- 267290
- DTXSID
DTXSID60972638
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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