(E, E) -2,4-Hexadienal

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CAS Number

142-83-6

Synonyms

(2E,4E) -hexa-2,4-dienal

MDL Number

MFCD00007004

Purity

95%

Smiles

C/C=C/C=C/C=O

Storage Conditions

Store at 2-8°C

Chemical Information

2,4-Hexadienal

2,4-Hexadienal (89% trans, trans isomer; 11% cis, trans isomer) can cause cancer according to The National Toxicology Program.

CAS Number	142-83-6
PubChem CID	637564
IUPAC Name	(2E,4E)-hexa-2,4-dienal
Molecular Formula	C6H8O
Molecular Weight	96.13
XLogP	1.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	90

SMILES

C/C=C/C=C/C=O

InChI

InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+

InChIKey

BATOPAZDIZEVQF-MQQKCMAXSA-N

Chemical Structure

2D Structure

CAS: 142-83-6

CID: 637564

Formula: C6H8O

MW: 96.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	96.13
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	96.057514874
Monoisotopic Mass	96.057514874
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	90.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR96267-01	Ethyl (E) -4,4-dimethoxybut-2-enoate
OR1077632	4,4'-Bis[ (E) -2-methoxystyryl]biphenyl
OR305565-01	4,4'- (E) -Diazene-1,2-diyldiphenol
PC1007319-01	Ethyl (E) -4,4-difluorobut-2-enoate
PC104963-01	(E) -4,4,4-Trifluorobut-2-Enoic Acid
OR26919-01	2-Methoxy-4-[ (E) -2-nitrovinyl]phenol
OR1059917-01	(E) -2-Cyano-4,4-dimethylpent-2-enoic acid

Catalog	Name
GTR19279670-01	2,4-Hexadienal
H03448-01	2,4-Hexadienal 95%
sc-251285	Trans, trans-2,4-Hexadienal
GTR19245313-01	(E, E) -2,4-Hexadienal
16020998	trans,trans-2,4-Hexadienal
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
T3001	2,2’,4,4’-Tetranitrodiphenylmethane
sc-265948	2,2,4,4-Tetramethylpentane
sc-213935	2,2',4,4'-Tetranitrodiphenylmethane
sc-213934	2,2',4,4'-Tetranitrobenzophenone