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

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

CAS: 858227-12-0

Formula: C9H8N2O2

SMILES: CC1=CC=C2C(NN=C2C(O)=O)=C1

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

InChI: InChI=1S/C9H8N2O2/c1-5-2-3-6-7(4-5)10-11-8(6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

Composition: C (61.36%), H (4.58%), N (15.90%), O (18.16%)

Molar Mass: 176.175

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	176.058577506
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PXMCNJOQYWBJDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48
Topological Polar Surface Area	65.98
Polarizability	18.74
Ring Count	2
Rotatable Bond Count	1

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