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Home Other Building Blocks (3-Nitro-1h-1,2,4-triazol-1-yl)acetic acid

(3-Nitro-1h-1,2,4-triazol-1-yl)acetic acid

CAS No.:
116419-36-4
Catalog Number:
AG000CFH
Molecular Formula:
C4H4N4O4
Molecular Weight:
172.0990
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG000CFH
Chemical Name:
(3-Nitro-1h-1,2,4-triazol-1-yl)acetic acid
CAS Number:
116419-36-4
Molecular Formula:
C4H4N4O4
Molecular Weight:
172.0990
MDL Number:
MFCD00297307
IUPAC Name:
2-(3-nitro-1,2,4-triazol-1-yl)acetic acid
InChI:
InChI=1S/C4H4N4O4/c9-3(10)1-7-2-5-4(6-7)8(11)12/h2H,1H2,(H,9,10)
InChI Key:
JNJSKDYVVRMEPN-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cnc(n1)[N+](=O)[O-]
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.023g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.1g/mol
Monoisotopic Mass:
172.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties