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1070-83-3 | 3,3-Dimethylbutyric acid
CAS No: 1070-83-3 Catalog No: AG003IDG MDL No:MFCD00002715
Product Description
Catalog Number:
AG003IDG
Chemical Name:
3,3-Dimethylbutyric acid
CAS Number:
1070-83-3
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00002715
IUPAC Name:
3,3-dimethylbutanoic acid
InChI:
InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
InChI Key:
MLMQPDHYNJCQAO-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C)(C)C
EC Number:
213-982-2
UNII:
Q80K0TZQ55
NSC Number:
4537
Properties
Complexity:
89.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Herbicidal activity of cineole derivatives. | Journal of agricultural and food chemistry 20100922 |
| The DMAP-catalyzed acetylation of alcohols--a mechanistic study (DMAP = 4-(dimethylamino)pyridine). | Chemistry (Weinheim an der Bergstrasse, Germany) 20050805 |
| Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines. | Journal of chromatography. A 20040611 |
| Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns. | Journal of chromatography. A 20040611 |
| Regulation of CYP2B6 in primary human hepatocytes by prototypical inducers. | Drug metabolism and disposition: the biological fate of chemicals 20040301 |
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