4-(4'-Cyano-biphenyl-4-yl)-4-oxo-butyric acid

HCID 18364136
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(-c2ccc(C(=O)CCC(=O)O)cc2)cc1
InChIKey
OUHXHPUQHUKZSQ-UHFFFAOYSA-N
Molecular formula
C17H13NO3
Average molar mass
279.29 g/mol

Names & identifiers

Preferred name
4-(4'-Cyano-biphenyl-4-yl)-4-oxo-butyric acid
IUPAC
4-[4-(4-cyanophenyl)phenyl]-4-oxobutanoic acid

Names & synonyms

SCHEMBL7862874OUHXHPUQHUKZSQ-UHFFFAOYSA-N4-(4'-cyano-biphenyl-4-yl)-4-oxo-butyric acid

Database identifiers

PubChem CID
18364136

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
78.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Related reactions

6 records
New reaction record

Compound notes

Loading…