3-(1-Hydroxyethyl)phenylboronic Acid - CAS 1036760-03-8

Catalog:	BB001195
Product Name:	3-(1-Hydroxyethyl)phenylboronic Acid
CAS:	1036760-03-8
Synonyms:	[3-(1-hydroxyethyl)phenyl]boronic acid; [3-(1-hydroxyethyl)phenyl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[3-(1-hydroxyethyl)phenyl]boronic acid
Description:	3-(1-Hydroxyethyl)phenylboronic Acid (CAS# 1036760-03-8) is a useful research chemical.
Molecular Weight:	165.98
Molecular Formula:	C8H11O3B
Canonical SMILES:	B(C1=CC(=CC=C1)C(C)O)(O)O
InChI:	InChI=1S/C8H11BO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-6,10-12H,1H3
InChI Key:	HMEWBULOTJOSEI-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	-0.58030

Publication Number	Title	Priority Date
CN-112094266-A	Pyrrolopyridinone compound, preparation method, composition and application thereof	20190617
WO-2020253711-A1	Pyrrolopyridone compound, preparation method therefor, and composition and use thereof	20190617
AU-2016335043-A1	Compounds for treatment of cancer and epigenetics	20151009
CA-3001452-A1	Compounds for treatment of cancer and epigenetics	20151009
EP-3371151-A1	Compounds for treatment of cancer and epigenetics	20151009

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
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:	3
Isotope Atom Count:	0
Monoisotopic Mass:	166.0801244
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.7
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0