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: 18.016

Pharmacophore Features:

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

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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