1-Cyclohexeneboronic Acid - CAS 89490-05-1

Catalog:	BB039509
Product Name:	1-Cyclohexeneboronic Acid
CAS:	89490-05-1
Synonyms:	1-cyclohexenylboronic acid; cyclohexen-1-ylboronic acid

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Computed Properties

IUPAC Name:	cyclohexen-1-ylboronic acid
Description:	1-Cyclohexeneboronic Acid (CAS# 89490-05-1) is a useful research chemical.
Molecular Weight:	125.96
Molecular Formula:	C6H11O2B
Canonical SMILES:	B(C1=CCCCC1)(O)O
InChI:	InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2
InChI Key:	XZWQKJXJNKYMAP-UHFFFAOYSA-N
Boiling Point:	261.9 °C at 760 mmHg
Density:	1.05 g/cm³
Appearance:	Solid
LogP:	0.49880

Publication Number	Title	Priority Date
CN-111960998-A	Nitroxoline derivatives, preparation method and application thereof	20200803
WO-2021193756-A1	Novel benzimidazole derivative	20200325
WO-2021195346-A1	Lipoxygenase inhibitors	20200325
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20200306
WO-2021176057-A1	Fungicidal compositions	20200305

PMID	Publication Date	Title	Journal
14673853	20031205	(9Z)- and (11Z)-8-methylretinals for artificial visual pigment studies: stereoselective synthesis, structure, and binding models	Chemistry (Weinheim an der Bergstrasse, Germany)
11735529	20011214	The Suzuki coupling reaction in the stereocontrolled synthesis of 9-cis-retinoic acid and its ring-demethylated analogues	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.0852098
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	126.0852098
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0