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3-formyl-1H-indazole-4-carboxylic acid

3-formyl-1H-indazole-4-carboxylic acid

CAS: 885519-78-8

Formula: C9H6N2O3

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

IUPAC: 3-formyl-1H-indazole-4-carboxylic acid

InChI: InChI=1S/C9H6N2O3/c12-4-7-8-5(9(13)14)2-1-3-6(8)10-11-7/h1-4H,(H,10,11)(H,13,14)

Composition: C (56.85%), H (3.18%), N (14.73%), O (25.24%)

Molar Mass: 190.158

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 190.037842061
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DAPWQPGPGVUFLB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.53
Topological Polar Surface Area 83.05
Polarizability 18.9
Ring Count 2
Rotatable Bond Count 2

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