Home Carboxys 1H-Pyrazole-3,4-dicarboxylic acid, 5-methyl-

1H-Pyrazole-3,4-dicarboxylic acid, 5-methyl-

CAS No.:
91808-38-7
Catalog Number:
AG01DTD5
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
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Product Description
Catalog Number:
AG01DTD5
Chemical Name:
1H-Pyrazole-3,4-dicarboxylic acid, 5-methyl-
CAS Number:
91808-38-7
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD20640551
IUPAC Name:
5-methyl-1H-pyrazole-3,4-dicarboxylic acid
InChI:
InChI=1S/C6H6N2O4/c1-2-3(5(9)10)4(6(11)12)8-7-2/h1H3,(H,7,8)(H,9,10)(H,11,12)
InChI Key:
CGTRFYVYHNAOAB-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1C(=O)O)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties