5-Hydroxypyridine-3-boronic acid hyrdochloride - CAS 1801408-19-4

Catalog:	BB060886
Product Name:	5-Hydroxypyridine-3-boronic acid hyrdochloride
CAS:	1801408-19-4
Synonyms:	5-Hydroxypyridine-3-boronic acid, HCl; (5-HYDROXYPYRIDIN-3-YL)BORONIC ACID HYDROCHLORIDE; (5-hydroxypyridin-3-yl)boronic acid; hydrochloride; 5-Hydroxypyridine-3-boronicacid,HCl

Technical Data

Computed Properties

IUPAC Name:	(5-hydroxypyridin-3-yl)boronic acidhydrochloride
Description:	5-Hydroxypyridine-3-boronic acid, HCl
Molecular Weight:	175.38
Molecular Formula:	C5H7BClNO3
Canonical SMILES:	B(C1=CC(=CN=C1)O)(O)O.Cl
InChI:	InChI=1S/C5H6BNO3.ClH/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8-10H1H
InChI Key:	ZYFJPPVDJOYVCM-UHFFFAOYSA-N

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Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0207509
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	175.0207509
Rotatable Bond Count:	1
Topological Polar Surface Area:	73.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0