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90993-83-2

90993-83-2 | 1H-Pyrazole-1,5-dicarboxylicacid

CAS No: 90993-83-2 Catalog No: AG006FRT MDL No:

Product Description

Catalog Number:
AG006FRT
Chemical Name:
1H-Pyrazole-1,5-dicarboxylicacid
CAS Number:
90993-83-2
Molecular Formula:
C5H4N2O4
Molecular Weight:
156.0963
IUPAC Name:
pyrazole-1,5-dicarboxylic acid
InChI:
InChI=1S/C5H4N2O4/c8-4(9)3-1-2-6-7(3)5(10)11/h1-2H,(H,8,9)(H,10,11)
InChI Key:
URORXTCGNUBKKT-UHFFFAOYSA-N
SMILES:
OC(=O)n1nccc1C(=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:
0.1  

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