5-(p-Cyanophenyl)-4-pentynoic acid

HCID 18997553
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Basic information

Standard SMILES
N#Cc1ccc(C#CCCC(=O)O)cc1
InChIKey
MIAUFTSOXFRBAP-UHFFFAOYSA-N
Molecular formula
C12H9NO2
Average molar mass
199.2 g/mol

Names & identifiers

Preferred name
5-(p-Cyanophenyl)-4-pentynoic acid
IUPAC
5-(4-cyanophenyl)pent-4-ynoic acid

Names & synonyms

SCHEMBL7387036MIAUFTSOXFRBAP-UHFFFAOYSA-N5-(p-cyanophenyl)-4-pentynoic acid

Database identifiers

PubChem CID
18997553

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
61.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Related reactions

7 records
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Compound notes

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