3-methyl-1H-indazole-5-carboxylic acid

3-methyl-1H-indazole-5-carboxylic acid

CAS: 885223-58-5

Formula: C9H8N2O2

SMILES: CC1=NNC2=CC=C(C=C12)C(O)=O

IUPAC: 3-methyl-1H-indazole-5-carboxylic acid

InChI: InChI=1S/C9H8N2O2/c1-5-7-4-6(9(12)13)2-3-8(7)11-10-5/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	BGNZTRUIXUSPDY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.92
Topological Polar Surface Area	65.98
Polarizability	18.72
Ring Count	2
Rotatable Bond Count	1

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