(2Z)-2-[(4-nitrophenyl)methylidene]-4-phenylbutanoic acid
Basic information
- CAS
21320-79-6- Standard SMILES
O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)CCc1ccccc1- InChIKey
PWGUASFROBOVCP-QINSGFPZSA-N- Molecular formula
- C17H15NO4
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.10010796
Names & identifiers
- Preferred name
- (2Z)-2-[(4-nitrophenyl)methylidene]-4-phenylbutanoic acid
- IUPAC
- (2Z)-2-[(4-nitrophenyl)methylidene]-4-phenylbutanoic acid
Names & synonyms
MLS00311506221320-79-6NSC211138(2Z)-2-[(4-nitrophenyl)methylidene]-4-phenylbutanoic acidDTXSID10422971NSC-211138
Database identifiers
- CAS
21320-79-6- PubChem CID
- 6380975
- DTXSID
DTXSID10422971
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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