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Home Nitros (3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetic acid

(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetic acid

CAS No.:
345637-69-6
Catalog Number:
AG00BZ5K
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00BZ5K
Chemical Name:
(3,5-Dimethyl-4-nitro-1h-pyrazol-1-yl)acetic acid
CAS Number:
345637-69-6
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
MDL Number:
MFCD00297279
IUPAC Name:
2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetic acid
InChI:
InChI=1S/C7H9N3O4/c1-4-7(10(13)14)5(2)9(8-4)3-6(11)12/h3H2,1-2H3,(H,11,12)
InChI Key:
BFNTYPOJGJVSTK-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties