(±)-cis-Bicyclo[3.2.0]hept-2-en-6-one - CAS 13173-09-6

Catalog:	BB007475
Product Name:	(±)-cis-Bicyclo[3.2.0]hept-2-en-6-one
CAS:	13173-09-6
Synonyms:	bicyclo[3.2.0]hept-2-en-6-one

Technical Data

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Patents

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Computed Properties

IUPAC Name:	bicyclo[3.2.0]hept-2-en-6-one
Description:	(±)-cis-Bicyclo[3.2.0]hept-2-en-6-one (CAS# 13173-09-6) is a useful research chemical.
Molecular Weight:	108.14
Molecular Formula:	C7H8O
Canonical SMILES:	C1C=CC2C1C(=O)C2
InChI:	InChI=1S/C7H8O/c8-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2
InChI Key:	LNLLHUHPGPKRBM-UHFFFAOYSA-N
Boiling Point:	158-160 °C
Density:	1.025 g/cm³
Appearance:	Liquid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00066201
LogP:	1.15150

Publication Number	Title	Priority Date
CN-111777500-A	Process for synthesizing cis-jasmone	20200706
CN-111575326-A	Method for synthesizing (1S, 5R) -dicyclic lactone by enzyme catalysis	20200514
WO-2021123402-A1	Continuous bioproduction by decoupling growth and production	20191220
WO-2021043117-A1	Impurity detection method for 2-((1s,2s,3r,6s,8s)-2-(aminomethyl)tricyclo[4.2.1.0 3,8]nonane-2-yl)acetate benzenesulfonate or composition thereof	20190903
US-10316012-B1	Method of synthesizing (1S, 5R)-lactone	20180115

PMID	Publication Date	Title	Journal
22286514	20121001	Completing the series of BVMOs involved in camphor metabolism of Pseudomonas putida NCIMB 10007 by identification of the two missing genes, their functional expression in E. coli, and biochemical characterization	Applied microbiology and biotechnology
22416037	20120416	A flavoprotein monooxygenase that catalyses a Baeyer-Villiger reaction and thioether oxidation using NADH as the nicotinamide cofactor	Chembiochem : a European journal of chemical biology
22223589	20120301	An automated microscale platform for evaluation and optimization of oxidative bioconversion processes	Biotechnology progress
22112513	20110810	Continuous testing system for Baeyer-Villiger biooxidation using recombinant Escherichia coli expressing cyclohexanone monooxygenase encapsulated in polyelectrolyte complex capsules	Enzyme and microbial technology
18051317	20070701	The analysis and application of a recombinant monooxygenase library as a biocatalyst for the Baeyer-Villiger reaction	Journal of microbiology and biotechnology

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.057514874
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.057514874
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7