3-Phenylcyclobutanol - CAS 92243-56-6

Catalog:	BB040461
Product Name:	3-Phenylcyclobutanol
CAS:	92243-56-6
Synonyms:	3-phenyl-1-cyclobutanol; 3-phenylcyclobutan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	3-phenylcyclobutan-1-ol
Description:	3-Phenylcyclobutanol (CAS# 92243-56-6 ) is a useful research chemical.
Molecular Weight:	148.20
Molecular Formula:	C10H12O
Canonical SMILES:	C1C(CC1O)C2=CC=CC=C2
InChI:	InChI=1S/C10H12O/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChI Key:	BLLLZEOPEKUXEG-UHFFFAOYSA-N
Boiling Point:	259.4±29.0 °C (760 mmHg)
Density:	1.121±0.06 g/cm³ (20 °C, 760 mmH g)
LogP:	1.92490

Publication Number	Title	Priority Date
US-2020109141-A1	Amino acid compounds and methods of use	20181008
WO-2019086452-A1	Antibacterial heteroaromatic compounds	20171031
US-2019269679-A1	Hydroxy isoxazole compounds useful as gpr120 agonists	20161215
WO-2018107415-A1	Hydroxy isoxazole compounds useful as gpr120 agonists	20161215
WO-2018111734-A1	Hydroxy isoxazole compounds useful as gpr120 agonists	20161215

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GHS Hazard Statement:	H302 (100%): 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:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.088815002
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8