4-(Benzyloxy)cyclohexanone - CAS 2987-06-6

Catalog:	BB020355
Product Name:	4-(Benzyloxy)cyclohexanone
CAS:	2987-06-6
Synonyms:	4-phenylmethoxy-1-cyclohexanone; 4-phenylmethoxycyclohexan-1-one

Technical Data

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Computed Properties

IUPAC Name:	4-phenylmethoxycyclohexan-1-one
Description:	4-(Benzyloxy)cyclohexanone (CAS# 2987-06-6) is a compound useful in organic synthesis.
Molecular Weight:	204.26
Molecular Formula:	C13H16O2
Canonical SMILES:	C1CC(=O)CCC1OCC2=CC=CC=C2
InChI:	InChI=1S/C13H16O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChI Key:	FFGVIYUANJAFJS-UHFFFAOYSA-N
Boiling Point:	319.923 °C at 760 mmHg
Density:	1.073 g/cm³
Appearance:	Liquid
MDL:	MFCD10697867
LogP:	2.71490

Publication Number	Title	Priority Date
JP-2021046434-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
JP-2021054833-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
JP-2021054834-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
WO-2020198058-A1	Inhibitors of raf kinases	20190322

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.115029749
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.115029749
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8