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Home Carboxys 3,5-Pyrazoledicarboxylic acid monohydrate

3,5-Pyrazoledicarboxylic acid monohydrate

CAS No.:
303180-11-2
Catalog Number:
AG002ZQZ
Molecular Formula:
C5H6N2O5
Molecular Weight:
174.1115
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$22
- +
25g
97%
In Stock USA
United States
$69
- +
100g
97%
In Stock USA
United States
$238
- +
500g
97%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG002ZQZ
Chemical Name:
3,5-Pyrazoledicarboxylic acid monohydrate
CAS Number:
303180-11-2
Molecular Formula:
C5H6N2O5
Molecular Weight:
174.1115
MDL Number:
MFCD00149323
IUPAC Name:
1H-pyrazole-3,5-dicarboxylic acid;hydrate
InChI:
InChI=1S/C5H4N2O4.H2O/c8-4(9)2-1-3(5(10)11)7-6-2;/h1H,(H,6,7)(H,8,9)(H,10,11);1H2
InChI Key:
GLINCONFUZIMCN-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]nc(c1)C(=O)O.O
EC Number:
221-474-7
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.028g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
174.112g/mol
Monoisotopic Mass:
174.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C). Bioorganic & medicinal chemistry letters 20120915
Properties