Molecular Identity
phthalate
phthalate
PubChem CID: 181977
Phthalate(2-) is a phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid. It has a role as a human xenobiotic metabolite. It is a phthalate and a dicarboxylic acid dianion. It is a conjugate base of a phthalate(1-).
2D Structure
Properties
C8H4O4-2
Molecular Formula
164.11
Molecular Weight
g/mol
164.0110
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
80.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
166
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
phthalateDTXSID10185812Phthalic Acid EsterRefChem:929201CHEBI:26092DTXCID50108303benzene-1,2-dicarboxylate3198-29-6Phthalic acid dipotassium saltphthalate(2-)z phthalate1,2-Phthalate3c2r1,2-benzenedicarboxylate1,2-Benzenecarboxylic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to phthalate
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