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7-methyl-2H-indazole-5-carboxylic acid

7-methyl-2H-indazole-5-carboxylic acid

CAS: 1031417-41-0

Formula: C9H8N2O2

SMILES: CC1=CC(=CC2=CNN=C12)C(O)=O

IUPAC: 7-methyl-2H-indazole-5-carboxylic acid

InChI: InChI=1S/C9H8N2O2/c1-5-2-6(9(12)13)3-7-4-10-11-8(5)7/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 XMVNTKZCEKCKQD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.12
Topological Polar Surface Area 65.98
Polarizability 18.73
Ring Count 2
Rotatable Bond Count 1

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