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2987-16-8 | 3,3-Dimethylbutyraldehyde
CAS No: 2987-16-8 Catalog No: AG0033HP MDL No:MFCD00042807
Product Description
Catalog Number:
AG0033HP
Chemical Name:
3,3-Dimethylbutyraldehyde
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 |
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