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trans-2-Methyl-2-Butenal

CAS No.:
497-03-0
Catalog Number:
AG0035PP
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
In Stock USA
United States
$111
- +
5g
99%
In Stock USA
United States
$136
- +
25g
99%
In Stock USA
United States
$229
- +
Product Description
Catalog Number:
AG0035PP
Chemical Name:
trans-2-Methyl-2-Butenal
CAS Number:
497-03-0
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD00006977
IUPAC Name:
(E)-2-methylbut-2-enal
InChI:
InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
InChI Key:
ACWQBUSCFPJUPN-HWKANZROSA-N
SMILES:
C/C=C(/C=O)\C
EC Number:
207-833-0
UNII:
27ZVE2K81C
NSC Number:
2179
FEMA Number:
3407
Properties
Complexity:
72  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Got milk? A pheromonal message for newborn rabbits. BioEssays : news and reviews in molecular, cellular and developmental biology 20040101
Analysis of a model reaction system containing cysteine and (E)-2-methyl-2-butenal, (E)-2-hexenal, or mesityl oxide. Journal of agricultural and food chemistry 20031119
Properties