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Home Carboxys 1,5-Dimethyl-1h-pyrazole-4-carboxylic acid

1,5-Dimethyl-1h-pyrazole-4-carboxylic acid

CAS No.:
31728-75-3
Catalog Number:
AG00C8WE
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00C8WE
Chemical Name:
1,5-Dimethyl-1h-pyrazole-4-carboxylic acid
CAS Number:
31728-75-3
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD02090876
IUPAC Name:
1,5-dimethylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O2/c1-4-5(6(9)10)3-7-8(4)2/h3H,1-2H3,(H,9,10)
InChI Key:
SKTIXLZNJZTGRT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1C)C
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C). Bioorganic & medicinal chemistry letters 20120915
Properties