2-Phenylcyclobutanone - CAS 42436-86-2

Catalog:	BB025133
Product Name:	2-Phenylcyclobutanone
CAS:	42436-86-2
Synonyms:	2-phenyl-1-cyclobutanone; 2-phenylcyclobutan-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2-phenylcyclobutan-1-one
Description:	2-Phenylcyclobutanone (CAS# 42436-86-2) is a useful reagent for the green preparation of γ, δ- and ϵ-keto esters.
Molecular Weight:	146.19
Molecular Formula:	C10H10O
Canonical SMILES:	C1CC(=O)C1C2=CC=CC=C2
InChI:	InChI=1S/C10H10O/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:	BJFZFQHWYGJPQD-UHFFFAOYSA-N
LogP:	2.13310

Publication Number	Title	Priority Date
CN-111454249-A	Preparation method and application of metal organic cage-shaped compound	20200423
WO-2020163816-A1	Quinolin-4-one and 4(1h)-cinnolinone compounds and methods of using same	20190208
US-10604489-B2	Compounds for the treatment of pain	20180205
US-2019241524-A1	Compounds for the treatment of pain	20180205
WO-2019152946-A1	Compounds for the treatment of pain	20180205

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Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.073164938
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.073164938
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7