trans-(3-Methoxystyryl)boronic Acid - CAS 863479-52-1

Catalog:	BB037897
Product Name:	trans-(3-Methoxystyryl)boronic Acid
CAS:	863479-52-1
Synonyms:	[(E)-2-(3-methoxyphenyl)ethenyl]boronic acid; [(E)-2-(3-methoxyphenyl)ethenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[(E)-2-(3-methoxyphenyl)ethenyl]boronic acid
Description:	trans-(3-Methoxystyryl)boronic Acid (CAS# 863479-52-1 ) is a useful research chemical.
Molecular Weight:	177.99
Molecular Formula:	C9H11O3B
Canonical SMILES:	B(C=CC1=CC(=CC=C1)OC)(O)O
InChI:	InChI=1S/C9H11BO3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7,11-12H,1H3/b6-5+
InChI Key:	VMKLFIODENULHK-AATRIKPKSA-N
LogP:	0.72040

Publication Number	Title	Priority Date
EP-3166918-B1	Metal-catalyzed asymmetric 1,4-conjugate addition of vinylboron compounds to 2-substituted-4-oxy- cyclopent-2-en-1-ones yielding prostaglandins and prostaglandin analogs	20140710
JP-2017520587-A	Metal-catalyzed asymmetric 1,4-conjugate addition of vinylboron compounds to 2-substituted-4-oxy-cyclopent-2-en-1-ones resulting in prostaglandins and prostaglandin analogs	20140710
JP-6643308-B2	Metal-catalyzed asymmetric 1,4-conjugate addition of vinyl boron compounds to 2-substituted-4-oxy-cyclopent-2-en-1-ones to yield prostaglandins and prostaglandin analogs	20140710
KR-20170028990-A	Metal-catalyzed asymmetric 1,4-conjugate addition of vinylboron compounds to 2-substituted-4-oxy-cyclopent-2-en-1-ones yielding prostaglandins and prostaglandin analogs	20140710
TW-201602074-A	Metal-catalyzed asymmetric 1,4-conjugate addition of vinyl boron compounds to 2-substituted-4-oxy-cyclopent-2-en-1-ones to produce prostaglandins and prostaglandin analogs	20140710

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Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	178.0801244
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	178.0801244
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0