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Home Nitros Isonitrosoacetone

Isonitrosoacetone

CAS No.:
306-44-5
Catalog Number:
AG0030NU
Molecular Formula:
C3H5NO2
Molecular Weight:
87.0773
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$68
- +
10g
95%
In Stock USA
United States
$113
- +
25g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0030NU
Chemical Name:
Isonitrosoacetone
CAS Number:
306-44-5
Molecular Formula:
C3H5NO2
Molecular Weight:
87.0773
MDL Number:
MFCD00002123
IUPAC Name:
(1E)-1-hydroxyiminopropan-2-one
InChI:
InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2+
InChI Key:
OVGLVOLWBBGQHS-DUXPYHPUSA-N
SMILES:
CC(=O)C=NO
EC Number:
206-184-0
UNII:
U32V8CLT4W
Properties
Complexity:
76.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
87.032g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
87.078g/mol
Monoisotopic Mass:
87.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Centrally acting oximes in reactivation of tabun-phosphoramidated AChE. Chemico-biological interactions 20130325
Mechanism of interaction of novel uncharged, centrally active reactivators with OP-hAChE conjugates. Chemico-biological interactions 20130325
Reactivation of organophosphate-inhibited human acetylcholinesterase by isonitrosoacetone (MINA): a kinetic analysis. Chemico-biological interactions 20111115
Amidine-oximes: reactivators for organophosphate exposure. Journal of medicinal chemistry 20110512
Reactivation of brain acetylcholinesterase by monoisonitrosoacetone increases the therapeutic efficacy against nerve agents in guinea pigs. Chemico-biological interactions 20100906
Properties