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Home Other Building Blocks 3,3-Dimethylbutanal

3,3-Dimethylbutanal

CAS No.:
2987-16-8
Catalog Number:
AG0033HP
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%(GC)
In Stock USA
United States
$48
- +
5g
97%(GC)
In Stock USA
United States
$94
- +
25g
97%(GC)
In Stock USA
United States
$344
- +
100g
97%(GC)
In Stock USA
United States
$1039
- +
Product Description
Catalog Number:
AG0033HP
Chemical Name:
3,3-Dimethylbutanal
CAS Number:
2987-16-8
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD00042807
IUPAC Name:
3,3-dimethylbutanal
InChI:
InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3
InChI Key:
LTNUSYNQZJZUSY-UHFFFAOYSA-N
SMILES:
O=CCC(C)(C)C
EC Number:
221-054-3
UNII:
CAM6HD7JKI
Properties
Complexity:
59.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Photochemistry and photophysics of n-butanal, 3-methylbutanal, and 3,3-dimethylbutanal: experimental and theoretical study. The journal of physical chemistry. A 20120621
Kinetics and products of the reactions of oh radicals with 4,4-dimethyl-1-pentene and 3,3-dimethylbutanal at 296 +/- 2 K. The journal of physical chemistry. A 20100513
Mechanistic studies of choline oxidase with betaine aldehyde and its isosteric analogue 3,3-dimethylbutyraldehyde. Biochemistry 20060214
Acyclic nucleoside analogues as novel inhibitors of human mitochondrial thymidine kinase. Journal of medicinal chemistry 20020912
5'-substituted-6-carboxylic-2,2'-bipyridine acid: a pivotal architecton for building preorganized ligands. The Journal of organic chemistry 20020531
Assessment of acyl groups and reaction conditions in the competition between perhydrolysis and hydrolysis of acyl resorufins for developing an indicator reaction for fluorometric analysis of hydrogen peroxide. Chemical & pharmaceutical bulletin 20020201
Properties