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1H,4H,5H-benzo[g]indazole-3-carboxylic acid

1H,4H,5H-benzo[g]indazole-3-carboxylic acid

CAS: 856257-31-3

Formula: C12H10N2O2

SMILES: OC(=O)C1=NNC2=C1CCC1=C2C=CC=C1

IUPAC: 1H,4H,5H-benzo[g]indazole-3-carboxylic acid

InChI: InChI=1S/C12H10N2O2/c15-12(16)11-9-6-5-7-3-1-2-4-8(7)10(9)13-14-11/h1-4H,5-6H2,(H,13,14)(H,15,16)

Composition: C (67.28%), H (4.71%), N (13.08%), O (14.94%)

Molar Mass: 214.224

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 214.07422757
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VWDJLWDAXLFYCO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.92
Topological Polar Surface Area 65.98
Polarizability 23.21
Ring Count 3
Rotatable Bond Count 1

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