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O-Phthalaldehyde

CAT: 1299-RG-A260842-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260842-04Size:100 mg
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CAS Number
643-79-8
Synonyms
O-Phthalaldehyde
Molecular Formula
C8H6O2
Molecular Weight
134.13
Target Alternative Name
Benzene
Product Name Synonym
O-Phthalaldehyde

Chemical Information

Phthalaldehyde

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.

CAS Number643-79-8
PubChem CID4807
IUPAC Namephthalaldehyde
Molecular FormulaC8H6O2
Molecular Weight134.13
XLogP1.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity115
SMILES
C1=CC=C(C(=C1)C=O)C=O
InChI
InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H
InChIKey
ZWLUXSQADUDCSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phthalaldehyde
CAS: 643-79-8
CID: 4807
Formula: C8H6O2
MW: 134.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.13
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass134.036779430
Monoisotopic Mass134.036779430
Topological Polar Surface Area34.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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