6-cyano-1H-indazole-3-carboxylic acid

6-cyano-1H-indazole-3-carboxylic acid

CAS: 194163-31-0

Formula: C9H5N3O2

SMILES: OC(=O)C1=NNC2=CC(=CC=C12)C#N

IUPAC: 6-cyano-1H-indazole-3-carboxylic acid

InChI: InChI=1S/C9H5N3O2/c10-4-5-1-2-6-7(3-5)11-12-8(6)9(13)14/h1-3H,(H,11,12)(H,13,14)

Composition: C (57.76%), H (2.69%), N (22.45%), O (17.10%)

Molar Mass: 187.158

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	187.038176413
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VVBNYLSPDQSTIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.68
Topological Polar Surface Area	89.77
Polarizability	18.83
Ring Count	2
Rotatable Bond Count	1

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