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

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

CAS: 885520-03-6

Formula: C9H5N3O2

SMILES: OC(=O)C1=NNC2=CC=C(C=C12)C#N

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

InChI: InChI=1S/C9H5N3O2/c10-4-5-1-2-7-6(3-5)8(9(13)14)12-11-7/h1-3H,(H,11,12)(H,13,14)

Composition: C (57.76%), H (2.69%), N (22.45%), O (17.10%)

Molar Mass: 187.158

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 187.038176413
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey QRFXWXSZQDFFJF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.68
Topological Polar Surface Area 89.77
Polarizability 18.82
Ring Count 2
Rotatable Bond Count 1

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Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 885520-03-6 $1,700.00-$2,970.00$1,700.00$2,970.00
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97% <5 Days 885520-03-6 $65.57-$234.55$65.57$95.84$234.55
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