1,4-Benzenedicarboxaldehyd

CAT: 1266-JH918232Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH918232Size:1 Each

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CAS Number

2065232-74-6

Stability

Under inert gas (nitrogen or Argon) at 2-8°C

Molecular Formula

C12H10O2

Molecular Weight

186.21

Density

1.130±0.06 g/cm3 (Predicted)

Chemical Information

2,5-Diethenyl-1,4-benzenedicarboxaldehyde

CAS Number	2065232-74-6
PubChem CID	139034393
IUPAC Name	2,5-bis(ethenyl)terephthalaldehyde
Molecular Formula	C12H10O2
Molecular Weight	186.21
XLogP	2.4
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	219

SMILES

C=CC1=CC(=C(C=C1C=O)C=C)C=O

InChI

InChI=1S/C12H10O2/c1-3-9-5-12(8-14)10(4-2)6-11(9)7-13/h3-8H,1-2H2

InChIKey

XPRYFYWFZXMGMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2065232-74-6

CID: 139034393

Formula: C12H10O2

MW: 186.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.21
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	186.068079557
Monoisotopic Mass	186.068079557
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH915400	4-Bromo-4''-iodo-1,1':4',1''-terphenyl
JH288265	1,1,1,4,4,4-hexafluorobutan-2-one
JH919574	[1,1':4',1'':2'',1''':4''',1''''-Quinquephenyl]-4,4''''-diamine, 3'',4'',5'',6''-tetrakis (4'-amino[1,1'-biphenyl]-4-yl) -
JH114689	4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline
JH917573	4'''-bromo-4'-phenyl-1,1':2',1'':4'',1'''-quaterphenyl
JH917581	4'''-chloro-4'-phenyl-1,1':2',1'':4'',1'''-quaterphenyl
JH917370	1- (1,1-Dimethylethyl) 4-ethyl 4-ethenyl-1,4-piperidinedicarboxylate
JH915547	4',4'''-sulfonylbis (([1,1'-biphenyl]-4-ol) )
JH918433	[1,1'-Bicyclohexyl]-4,4'-diamine
JH918400	4- (4-chlorophenyl) -1,1'-binaphthalene

Catalog	Name
OR1008855-01	[1,1:4,1:4,1:4,1:4,1-Sexiphenyl]-4,4-Dicarboxylic Acid
OR81165-01	[1,1':4',1'':4'',1'''-quaterphenyl]-4,4'''-dicarbaldehyde
110677-45-7	[1,1',4',1",4",1-Quaterphenyl]-4,4'''-dicarbonaldehyde
OR76183-01	[1,1':4',1'':4'',1'''-Quaterphenyl]-4,4'''-diamine
PC4652-01	1,1,1,4,4,4-Hexafluorobutane
OR1008856-01	[1,1':4',1'':4'',1'''-Quaterphenyl]-4,4'''-Dicarboxylic Acid
OR1061485-01	4-Bromo-1,1':4',1'':4'',1'''-quaterphenyl
TRC-Q872650-50MG	[1,1′:4′,1′′:4′′,1′′′-Quaterphenyl]-4-thiol.
OR1067763-01	[1,1':4',1'':4'',1'''-Quaterphenyl]-4-amine
sc-227539	Butane-1,1,1,4,4,4-d6