Phenylacetate

Synonyms: "phenylacetate", "2-phenylacetate", "2-phenylethanoate", "Benzeneacetate", "phenylacetate anion", "phenylacetate(1-)", "phenylacetic acid anion"

Source: Phenylacetate (PA) is a member of a class of aromatic fatty acids that has demonstrated antitumor activity in experimental models and in humans.

Identifiers:

IUPAC Name: 2-phenylacetate
CAS Number: n/a
PubChem ID: 4409936
InChiKey: WLJVXDMOQOGPHL-UHFFFAOYSA-M
Canonical SMILES: C1=CC=C(C=C1)CC(=O)[O-]

Structural Properties:

Molecular Formula: C₈H₇O₂^-
Molecular Weight: 135.14

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 10

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2D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Bilal, M., Adeel, M., Rasheed, T., Zhao, Y., & Iqbal, H. M. (2019). Emerging contaminants of high concern and their enzyme-assisted biodegradation?a review. Environment international, 124, 336-353.

External Links

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2D-structure

3D-structure