Molecular Identity
Salicylate
2-carboxyphenolate
PubChem CID: 54675850
Salicylate is a monohydroxybenzoate that is the conjugate base of salicylic acid. It has a role as a plant metabolite. It is a conjugate base of a salicylic acid.
2D Structure
Properties
C7H5O3-
Molecular Formula
137.11
Molecular Weight
g/mol
137.0239
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
60.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
133
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C(=C1)C(=O)O)[O-]Isomeric SMILES
SMILES: C1=CC=C(C(=C1)C(=O)O)[O-]Synonyms(20)
salicylate2-Hydroxybenzoateo-HydroxybenzoateSalicylate ionSalicylate aniono-Hydroxybenzoate anion2-Hydroxybenzoic acid ion(1-)Salicylic acid, ion(1-)63-36-5Benzoic acid, 2-hydroxy-, ion(1-)CHEBI:30762RefChem:65782-HBA2-carboxyphenolate2-hydroxy-benzoate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Salicylate
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