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Home Other Building Blocks 2,2-Dimethylvaleric acid

2,2-Dimethylvaleric acid

CAS No.:
1185-39-3
Catalog Number:
AG003FBW
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$69
- +
5g
95%
In Stock USA
United States
$207
- +
10g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003FBW
Chemical Name:
2,2-Dimethylvaleric acid
CAS Number:
1185-39-3
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD00021686
IUPAC Name:
2,2-dimethylpentanoic acid
InChI:
InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChI Key:
ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)(C)C
EC Number:
214-682-4
UNII:
95233IS466
NSC Number:
61983
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Liquid chromatography-mass spectrometric assay for quantitation of the short-chain fatty acid, 2,2-dimethylbutyrate (NSC 741804), in rat plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20080201
Properties