4-formyl-1H-pyrazole-3-carboxylic acid

4-formyl-1H-pyrazole-3-carboxylic acid

CAS: 35344-94-6

Formula: C5H4N2O3

SMILES: OC(=O)C1=NNC=C1C=O

IUPAC: 4-formyl-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C5H4N2O3/c8-2-3-1-6-7-4(3)5(9)10/h1-2H,(H,6,7)(H,9,10)

Composition: C (42.87%), H (2.88%), N (20.00%), O (34.26%)

Molar Mass: 140.098

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	140.022191997
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WLJIPMNJIBKQON-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.21
Topological Polar Surface Area	83.05
Polarizability	11.58
Ring Count	1
Rotatable Bond Count	2

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