3-(Hydroxymethyl)-4-methoxyphenylboronic Acid - CAS 908142-03-0

Catalog:	BB039961
Product Name:	3-(Hydroxymethyl)-4-methoxyphenylboronic Acid
CAS:	908142-03-0
Synonyms:	[3-(hydroxymethyl)-4-methoxyphenyl]boronic acid; [3-(hydroxymethyl)-4-methoxyphenyl]boronic acid

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Computed Properties

IUPAC Name:	[3-(hydroxymethyl)-4-methoxyphenyl]boronic acid
Description:	3-(Hydroxymethyl)-4-methoxyphenylboronic Acid (CAS# 908142-03-0) is a useful research chemical.
Molecular Weight:	181.98
Molecular Formula:	C8H11O4B
Canonical SMILES:	B(C1=CC(=C(C=C1)OC)CO)(O)O
InChI:	InChI=1S/C8H11BO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-4,10-12H,5H2,1H3
InChI Key:	DOQUCBSZQOPLGT-UHFFFAOYSA-N
Appearance:	White to pale yellow powder
LogP:	-1.13270

Publication Number	Title	Priority Date
US-2021077385-A1	Wet-packed soft hydrogel ocular inserts	20190918
WO-2021053586-A1	Wet-packed soft hydrogel ocular inserts	20190918
JP-WO2018235688-A1	Curable composition, semi-cured product, cured product, optical member, lens and compound	20170623
US-2020115316-A1	Curable composition, semi-cured product, cured product, optical member, lens, and compound	20170623
WO-2018235688-A1	CURABLE COMPOSITION, SEMI-CURED PRODUCT, CURED PRODUCT, OPTICAL ELEMENT, LENS AND COMPOUND	20170623

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.0750390
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	182.0750390
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0