5-hydroxy-1H-1,3-benzodiazole-4-carboxylic acid

5-hydroxy-1H-1,3-benzodiazole-4-carboxylic acid

CAS: 1378261-13-2

Formula: C8H6N2O3

SMILES: OC(=O)C1=C2N=CNC2=CC=C1O

IUPAC: 5-hydroxy-1H-1,3-benzodiazole-4-carboxylic acid

InChI: InChI=1S/C8H6N2O3/c11-5-2-1-4-7(10-3-9-4)6(5)8(12)13/h1-3,11H,(H,9,10)(H,12,13)

Composition: C (53.94%), H (3.39%), N (15.73%), O (26.94%)

Molar Mass: 178.147

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	178.037842061
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	ARPZAVQSNDQBBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.21
Topological Polar Surface Area	86.21
Polarizability	17.61
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1378261-13-2		$174.02-$577.54$174.02$266.07$577.54