monomethyl phthalate

Synonyms: "methyl hydrogen phthalate", "2-(methoxycarbonyl)benzoic acid", "mono-methyl phthalate", "methyl phthalate"

Source: monomethyl phthalate is an intermediate in the preparation of N-substituted phthalimides.

Identifiers:

IUPAC Name: 2-methoxycarbonylbenzoic acid
CAS Number: 4376-18-5
PubChem ID: 20392
InChiKey: FNJSWIPFHMKRAT-UHFFFAOYSA-N
Canonical SMILES: COC(=O)C1=CC=CC=C1C(=O)O

Structural Properties:

Molecular Formula: C9H8O4
Molecular Weight: 18,015742

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 4
Number of atoms different from hydrogen: 13

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Hurst CH, Waxman DJ. 2003. Activation of PPARalpha and PPARgamma by environmental phthalate monoesters. Toxicol Sci 74(2):297-308.

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Keywords


2D-structure

3D-structure

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