3-(Hydroxymethyl)thiophene-2-boronic Acid - CAS 222840-73-5

Catalog:	BB017507
Product Name:	3-(Hydroxymethyl)thiophene-2-boronic Acid
CAS:	222840-73-5
Synonyms:	[3-(hydroxymethyl)-2-thiophenyl]boronic acid; [3-(hydroxymethyl)thiophen-2-yl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[3-(hydroxymethyl)thiophen-2-yl]boronic acid
Description:	3-(Hydroxymethyl)thiophene-2-boronic Acid (CAS# 222840-73-5) is a useful research chemical.
Molecular Weight:	157.98
Molecular Formula:	C5H7O3SB
Canonical SMILES:	B(C1=C(C=CS1)CO)(O)O
InChI:	InChI=1S/C5H7BO3S/c7-3-4-1-2-10-5(4)6(8)9/h1-2,7-9H,3H2
InChI Key:	HUUVNOIORZPHNG-UHFFFAOYSA-N
Boiling Point:	405.021 °C at 760 mmHg
Density:	1.426 g/cm³
LogP:	-1.07980

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
AU-2005286795-A1	Chemical compounds	20040921
CZ-20032829-A3	Heterocyclic compounds	20010416
HU-0303829-A2	High Conductive Calcium Activated Potassium Channel Opening Compounds, Their Use and Pharmaceutical Compositions	20010416

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Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0208954
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	158.0208954
Rotatable Bond Count:	2
Topological Polar Surface Area:	88.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0