3,4-Dihydroxyphenylboronic Acid - CAS 852631-64-2

Catalog:	BB037565
Product Name:	3,4-Dihydroxyphenylboronic Acid
CAS:	852631-64-2
Synonyms:	(3,4-dihydroxyphenyl)boronic acid; (3,4-dihydroxyphenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(3,4-dihydroxyphenyl)boronic acid
Description:	3,4-Dihydroxyphenylboronic Acid (CAS# 852631-64-2 ) is a useful research chemical.
Molecular Weight:	153.93
Molecular Formula:	C6H7O4B
Canonical SMILES:	B(C1=CC(=C(C=C1)O)O)(O)O
InChI:	InChI=1S/C6H7BO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-11H
InChI Key:	BCWYQMRVLHIWQV-UHFFFAOYSA-N
LogP:	-1.22240

Publication Number	Title	Priority Date
WO-2015081280-A1	Bromodomain ligands capable of dimerizing in an aqueous solution	20131126
EP-2842974-A1	Compound having four polymerizable groups, liquid crystal composition, and liquid crystal display element	20120424
EP-2842974-B1	Compound having four polymerizable groups, liquid crystal composition, and liquid crystal display element	20120424
EP-3199558-A1	Compound having four polymerizable groups, liquid crystal composition and liquid crystal display device	20120424
EP-3199558-B1	Compound having four polymerizable groups, liquid crystal composition and liquid crystal display device	20120424

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Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.0437389
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	154.0437389
Rotatable Bond Count:	1
Topological Polar Surface Area:	80.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0