Molecular Identity
phenylacetate
2-phenylacetate
PubChem CID: 4409936
Phenylacetate is a monocarboxylic acid anion that is the conjugate base of phenylacetic acid. It has a role as a Saccharomyces cerevisiae metabolite, a plant metabolite, an Escherichia coli metabolite and a human metabolite. It is functionally related to an acetate. It is a conjugate base of a phenylacetic acid.
2D Structure
Properties
C8H7O2-
Molecular Formula
135.14
Molecular Weight
g/mol
135.0446
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
40.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
109
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(16)
phenylacetate2-phenylethanoateCHEBI:18401RefChem:9290432-phenylacetateBenzeneacetatephenylacetate anionphenylacetate(1-)phenylacetic acid anionBDBM36183WLJVXDMOQOGPHL-UHFFFAOYSA-Mc0211AKOS024258138NS00010314AB01275449-01
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to phenylacetate
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