5-Cyanomethyl-2-methoxybenzoic acid

HCID 17830574
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Basic information

Standard SMILES
COc1ccc(CC#N)cc1C(=O)O
InChIKey
BLURPMGEKDVRLB-UHFFFAOYSA-N
Molecular formula
C10H9NO3
Average molar mass
191.18 g/mol

Names & identifiers

Preferred name
5-Cyanomethyl-2-methoxybenzoic acid
IUPAC
5-(cyanomethyl)-2-methoxybenzoic acid

Names & synonyms

5-cyanomethyl-2-methoxybenzoic acidSCHEMBL5974730BLURPMGEKDVRLB-UHFFFAOYSA-N

Database identifiers

PubChem CID
17830574

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
70.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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