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

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

CAS: 871709-92-1

Formula: C8H7N3O2

SMILES: NC1=NNC2=CC(=CC=C12)C(O)=O

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

InChI: InChI=1S/C8H7N3O2/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7/h1-3H,(H,12,13)(H3,9,10,11)

Composition: C (54.24%), H (3.98%), N (23.72%), O (18.06%)

Molar Mass: 177.163

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 177.053826477
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey NECZTEQDOQLSQW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.34
Topological Polar Surface Area 92
Polarizability 18.11
Ring Count 2
Rotatable Bond Count 1

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