2-Methoxymethylbenzeneboronic Acid - CAS 126617-98-9

Catalog:	BB006617
Product Name:	2-Methoxymethylbenzeneboronic Acid
CAS:	126617-98-9
Synonyms:	[2-(methoxymethyl)phenyl]boronic acid; [2-(methoxymethyl)phenyl]boronic acid

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Computed Properties

IUPAC Name:	[2-(methoxymethyl)phenyl]boronic acid
Description:	2-(Methoxymethyl)phenylboronic Acid (CAS# 126617-98-9) can be used as an improved class of sugar-binding boronic acids that can complex glycosides in neutral water and are soluble.
Molecular Weight:	165.98
Molecular Formula:	C8H11O3B
Canonical SMILES:	B(C1=CC=CC=C1COC)(O)O
InChI:	InChI=1S/C8H11BO3/c1-12-6-7-4-2-3-5-8(7)9(10)11/h2-5,10-11H,6H2,1H3
InChI Key:	JHPPAFXQJZJGEP-UHFFFAOYSA-N
MDL:	MFCD03412110
LogP:	-0.48720

Publication Number	Title	Priority Date
WO-2021154902-A1	Collagen 1 translation inhibitors and methods of use thereof	20200130
WO-2021064677-A1	Inhibitors of human immunodeficiency virus replication	20191004
US-2020197391-A1	Compounds that participate in cooperative binding and uses thereof	20181221
WO-2020132597-A1	Compounds that participate in cooperative binding and uses thereof	20181221
TW-202039509-A	Compounds that participate in cooperative binding and uses thereof	20181221

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0801244
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	166.0801244
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0