Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-

HCID 5367161

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Basic information

CAS: 5724-55-0
Standard SMILES: N#Cc1ccc(/C=C/C(=O)c2ccccc2)cc1
InChIKey: CAHMJFODGBXCBM-ZHACJKMWSA-N
Molecular formula: C16H11NO
Average molar mass: 233.26 g/mol
Monoisotopic mass: 233.08406397

Names & identifiers

Preferred name: Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-
IUPAC: 4-[(E)-3-oxo-3-phenylprop-1-enyl]benzonitrile

Names & synonyms

Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-MLS0007567804-(3-Oxo-3-phenyl-1-propenyl)benzonitrile5724-55-04-[(E)-3-oxo-3-phenylprop-1-enyl]benzonitrileNSC636934p-cyanochalcone4-((e)-3-oxo-3-phenylprop-1-enyl)benzonitrile4-(3-Oxo-3-phenyl-propenyl)-benzonitrileNSC1793654-[(1E)-3-OXO-3-PHENYLPROP-1-EN-1-YL]BENZONITRILE22966-17-2

Show more names

CHEMBL445153SCHEMBL8987364HMS2884B05STL196406AKOS015959654NSC-179365NSC-636934SMR000529062

Database identifiers

CAS: 5724-55-0
PubChem CID: 5367161
ChEMBL: CHEMBL445153
Nikkaji: J236.546D、J565.191C

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 40.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 349

Experimental & physicochemical properties

LogP2.93

Related reactions

1 records

New reaction record

HRID 2373094As productuspto-grants-1992_03

Compound notes

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