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90993-84-3 | 1H-Pyrazole-1,4-dicarboxylic acid
CAS No: 90993-84-3 Catalog No: AG006FRS MDL No:
Product Description
Catalog Number:
AG006FRS
Chemical Name:
1H-Pyrazole-1,4-dicarboxylic acid
CAS Number:
90993-84-3
Molecular Formula:
C5H4N2O4
Molecular Weight:
156.0963
IUPAC Name:
pyrazole-1,4-dicarboxylic acid
InChI:
InChI=1S/C5H4N2O4/c8-4(9)3-1-6-7(2-3)5(10)11/h1-2H,(H,8,9)(H,10,11)
InChI Key:
CSBSLTYGUNFNDX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)C(=O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.097g/mol
Monoisotopic Mass:
156.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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