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Home Carboxys 1H-Pyrazole-4-carboxylic acid

1H-Pyrazole-4-carboxylic acid

CAS No.:
37718-11-9
Catalog Number:
AG003453
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$22
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$263
- +
500g
98%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG003453
Chemical Name:
1H-Pyrazole-4-carboxylic acid
CAS Number:
37718-11-9
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
MDL Number:
MFCD00011558
IUPAC Name:
1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)
InChI Key:
IMBBXSASDSZJSX-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]nc1
EC Number:
253-641-5
UNII:
4XJZ84GV8E
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Kinetics and metabolism of fomepizole in healthy humans. Clinical toxicology (Philadelphia, Pa.) 20120601
A solid-state NMR, X-ray diffraction, and ab initio computational study of hydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains. Journal of the American Chemical Society 20010815
Properties