4-(Cyanomethyl)-3-methoxybenzoic acid

HCID 21990998
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Basic information

Standard SMILES
COc1cc(C(=O)O)ccc1CC#N
InChIKey
GEPMYERTKUFINI-UHFFFAOYSA-N
Molecular formula
C10H9NO3
Average molar mass
191.18 g/mol

Names & identifiers

Preferred name
4-(Cyanomethyl)-3-methoxybenzoic acid
IUPAC
4-(cyanomethyl)-3-methoxybenzoic acid

Names & synonyms

4-(cyanomethyl)-3-methoxybenzoic acidSCHEMBL5832851GEPMYERTKUFINI-UHFFFAOYSA-N

Database identifiers

PubChem CID
21990998

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
70.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Related reactions

3 records
New reaction record

Compound notes

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