5-cyano-1H-indole-2-carboxylic acid

5-cyano-1H-indole-2-carboxylic acid

CAS: 169463-44-9

Formula: C10H6N2O2

SMILES: OC(=O)C1=CC2=CC(=CC=C2N1)C#N

IUPAC: 5-cyano-1H-indole-2-carboxylic acid

InChI: InChI=1S/C10H6N2O2/c11-5-6-1-2-8-7(3-6)4-9(12-8)10(13)14/h1-4,12H,(H,13,14)

Composition: C (64.52%), H (3.25%), N (15.05%), O (17.19%)

Molar Mass: 186.17

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	186.042927441
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AXAUNIVIEFHPSY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50
Topological Polar Surface Area	76.88
Polarizability	19.69
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	169463-44-9		$244.63-$1,890.24$244.63$366.95$1,134.90$1,890.24