Dimethyl-4-hydroxyphthalate

Synonyms: "Dimethyl 4-hydroxyphthalate", "4-Hydroxyphthalic acid dimethyl ester", "dimethyl 4-hydroxybenzene-1,2-dicarboxylate", "1,2-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester", "4-hydroxy-phthalic acid dimethyl ester", "dimethyl4-hydroxyphthalate"

Source: Dimethyl-4-hydroxyphthalate is an alternative for bisphenol A in thermal paper.

Identifiers:

IUPAC Name: dimethyl 4-hydroxybenzene-1,2-dicarboxylate
CAS Number: 22479-95-4
PubChem ID: 89726
InChiKey: JJXVDRYFBGDXOU-UHFFFAOYSA-N
Canonical SMILES: COC(=O)C1=C(C=C(C=C1)O)C(=O)OC

Structural Properties:

Molecular Formula: C₁₀H₁₀O₅
Molecular Weight: 210.18

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 5
Number of atoms different from hydrogen: 15

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

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