2-(2-Cyanoethoxy)-3-methoxybenzoic acid

HCID 20163682
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Basic information

Standard SMILES
COc1cccc(C(=O)O)c1OCCC#N
InChIKey
QPGPDRTZRWRXAZ-UHFFFAOYSA-N
Molecular formula
C11H11NO4
Average molar mass
221.21 g/mol

Names & identifiers

Preferred name
2-(2-Cyanoethoxy)-3-methoxybenzoic acid
IUPAC
2-(2-cyanoethoxy)-3-methoxybenzoic acid

Names & synonyms

SCHEMBL10372694

Database identifiers

PubChem CID
20163682

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
79.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
16

Related reactions

1 records
New reaction record

Compound notes

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