Molecular Identity
Phthalaldehyde
phthalaldehyde
PubChem CID: 4807
Phthalaldehyde is a dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring. It has a role as an epitope. It is a member of benzaldehydes and a dialdehyde.
2D Structure
Properties
C8H6O2
Molecular Formula
134.13
Molecular Weight
g/mol
134.0368
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
34.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
115
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C(=C1)C=O)C=OIsomeric SMILES
SMILES: C1=CC=C(C(=C1)C=O)C=OSynonyms(20)
o-Phthalaldehyde643-79-8PHTHALALDEHYDEo-Phthaldialdehyde1,2-BenzenedicarboxaldehydePhthalic aldehydeortho-Phthalaldehydebenzene-1,2-dicarbaldehydePhthalic dialdehydePhthalic dicarboxaldehydePhthalyldicarboxaldehydePhthalaldialdehydeortho Phthalaldehydeo-Phthalicdicarboxaldehyde1,2-Diformylbenzene
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phthalaldehyde
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