Tropone - CAS 539-80-0

Catalog:	BB028426
Product Name:	Tropone
CAS:	539-80-0
Synonyms:	cyclohepta-2,4,6-trien-1-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	cyclohepta-2,4,6-trien-1-one
Description:	Tropone (CAS# 539-80-0) is a useful research chemical compound.
Molecular Weight:	106.12
Molecular Formula:	C7H6O
Canonical SMILES:	C1=CC=CC(=O)C=C1
InChI:	InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H
InChI Key:	QVWDCTQRORVHHT-UHFFFAOYSA-N
Boiling Point:	113 °C (15 torr)
Melting Point:	-7 °C
Purity:	95 %
Density:	1.091 g/cm³
Storage:	-20 °C
MDL:	MFCD00014331
LogP:	1.04680

Publication Number	Title	Priority Date
CN-113292621-A	Pharmaceutical crystal form of progesterone and application thereof	20210519
CN-112940002-A	Method for synthesizing eight-membered bridged ring compound through palladium-catalyzed asymmetric ring addition reaction	20210207
CN-111620914-A	Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof	20200709
CN-111620914-B	Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof	20200709
CN-111662338-A	Monocyclopentadienyl fourth subgroup metal complex containing neutral amine or phosphine ligand side group and its use	20200709

PMID	Publication Date	Title	Journal
22998507	20121010	Experimental verification of the homoaromaticity of 1,3,5-cycloheptatriene and evaluation of the aromaticity of tropone and the tropylium cation by use of the dimethyldihydropyrene probe	Journal of the American Chemical Society
22889150	20120903	Aminotroponiminatogermaacid halides with a Ge(E)X moiety (E = S, Se; X = F, Cl)	Inorganic chemistry
22616814	20120615	Experimental and theoretical analyses of azulene synthesis from tropones and active methylene compounds: reaction of 2-methoxytropone and malononitrile	The Journal of organic chemistry
22291452	20120101	The isolation of a new S-methyl benzothioate compound from a marine-derived Streptomyces sp	Journal of biomedicine & biotechnology
21905651	20111004	Unusual catalytic effect of the two-dimensional molecular space with regular triphenylphosphine groups	Langmuir : the ACS journal of surfaces and colloids

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Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	106.041864811
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	106.041864811
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6