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Terephthalaldehyde

CAT: 0013-GTR19245546-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245546-02Size:1 g
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Description
Terephthalaldehyde is a biochemical reagent that can be used as a biomaterial or organic compound in life science research.
CAS Number
623-27-8
Smiles
O=CC1=CC=C (C=O) C=C1
Molecular Formula
C8H6O2
Molecular Weight
134.132
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Terephthalaldehyde
CAS Number623-27-8
PubChem CID12173
IUPAC Nameterephthalaldehyde
Molecular FormulaC8H6O2
Molecular Weight134.13
XLogP0.9
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity107
SMILES
C1=CC(=CC=C1C=O)C=O
InChI
InChI=1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H
InChIKey
KUCOHFSKRZZVRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Terephthalaldehyde
CAS: 623-27-8
CID: 12173
Formula: C8H6O2
MW: 134.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.13
XLogP30.9
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
Complexity107
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

Alternative Products

CatalogName
HY-Y0425-01Terephthalaldehyde
OR1043807-01Terephthalaldehyde dioxime
237525-01Terephthalaldehyde for Synthesis 97.5%
sc-474860Terephthalaldehyde Bis (diethyl Acetal)
PC1014535-012-Fluoro-3- (methylthio) terephthalaldehyde
OR1068546-012,5-Bis (methylthio) terephthalaldehyde
OR1043138-012,5-Bis (heptyloxy) terephthalaldehyde
OR1068514-012,5-Bis (dodecyloxy) terephthalaldehyde
OR1060365-012,5-Bis (pentyloxy) terephthalaldehyde
OR1032261-012,5-Bis (allyloxy) terephthalaldehyde

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