4-(Pentyloxy)phenylboronic Acid - CAS 146449-90-3

Catalog:	BB010087
Product Name:	4-(Pentyloxy)phenylboronic Acid
CAS:	146449-90-3
Synonyms:	(4-pentoxyphenyl)boronic acid; (4-pentoxyphenyl)boronic acid

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Computed Properties

IUPAC Name:	(4-pentoxyphenyl)boronic acid
Description:	4-(Pentyloxy)phenylboronic Acid (CAS# 146449-90-3) is a useful research chemical.
Molecular Weight:	208.06
Molecular Formula:	C11H17O3B
Canonical SMILES:	B(C1=CC=C(C=C1)OCCCCC)(O)O
InChI:	InChI=1S/C11H17BO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8,13-14H,2-4,9H2,1H3
InChI Key:	WHFKSJLAGACWMF-UHFFFAOYSA-N
Boiling Point:	355.3 °C at 760 mmHg
Density:	1.06 g/cm³
Appearance:	White solid
MDL:	MFCD04039035
LogP:	0.93540

Publication Number	Title	Priority Date
CN-111153884-A	Pi-system extended coumarin compound, preparation method thereof and application thereof as photoluminescence material	20200114
WO-2021019051-A1	Inhibitors of human atgl	20190730
CN-107759461-A	Preparation method of the one-step synthesis method anidulafungin intermediate to amoxy terphenyl formic acid	20171108
CN-107759461-B	Preparation method for synthesizing anidulafungin intermediate p-pentoxy terphenyl formic acid by one-step method	20171108
US-2019187497-A1	Heterocyclic liquid crystal composition, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device	20160804

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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:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.1270746
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	208.1270746
Rotatable Bond Count:	6
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0