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1H-pyrazole-3,5-dicarboxylic acid

1H-pyrazole-3,5-dicarboxylic acid

CAS: 3112-31-0

Formula: C5H4N2O4

SMILES: OC(=O)C1=CC(=NN1)C(O)=O

IUPAC: 1H-pyrazole-3,5-dicarboxylic acid

InChI: InChI=1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)

Composition: C (38.47%), H (2.58%), N (17.95%), O (41.00%)

Molar Mass: 156.097

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 156.017106617
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey YDMVPJZBYSWOOP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.76
Topological Polar Surface Area 103.28
Polarizability 12.14
Ring Count 1
Rotatable Bond Count 2

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