sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles Pivaloylacetonitrile

Pivaloylacetonitrile

CAS No.:
59997-51-2
Catalog Number:
AG003TT5
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
250g
98%(GC)
In Stock USA
United States
$112
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003TT5
Chemical Name:
Pivaloylacetonitrile
CAS Number:
59997-51-2
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD00010208
IUPAC Name:
4,4-dimethyl-3-oxopentanenitrile
InChI:
InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChI Key:
MXZMACXOMZKYHJ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C(C)(C)C
EC Number:
262-017-1
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties