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4,4'-Biphenyldicarboxaldehyde

CAT: 0024-sc-472565Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-472565Size:1 g
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CAS Number
66-98-8

Chemical Information

[1,1'-Biphenyl]-4,4'-dicarboxaldehyde
CAS Number66-98-8
PubChem CID6200
IUPAC Name4-(4-formylphenyl)benzaldehyde
Molecular FormulaC14H10O2
Molecular Weight210.23
XLogP3.3
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity207
SMILES
C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H
InChIKey
FEHLIYXNTWAEBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1,1'-Biphenyl]-4,4'-dicarboxaldehyde
CAS: 66-98-8
CID: 6200
Formula: C14H10O2
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass210.068079557
Monoisotopic Mass210.068079557
Topological Polar Surface Area34.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity207
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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