2-Ethyl-1-buten-1-yl Propionate - CAS 142935-43-1

Catalog:	BB009471
Product Name:	2-Ethyl-1-buten-1-yl Propionate
CAS:	142935-43-1
Synonyms:	propanoic acid 2-ethylbut-1-enyl ester; 2-ethylbut-1-enyl propanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	2-ethylbut-1-enyl propanoate
Description:	2-Ethyl-1-buten-1-yl Propionate (CAS# 142935-43-1 ) is a useful research chemical.
Molecular Weight:	156.22
Molecular Formula:	C9H16O2
Canonical SMILES:	CCC(=COC(=O)CC)CC
InChI:	InChI=1S/C9H16O2/c1-4-8(5-2)7-11-9(10)6-3/h7H,4-6H2,1-3H3
InChI Key:	RVZZYIXWSKDHFQ-UHFFFAOYSA-N
LogP:	2.72930

Publication Number	Title	Priority Date
EP-2209372-A1	Novel azetidinones useful as inhibitors of elastase	20071005
US-2010216761-A1	Novel azetidinones useful as inhibitors of elastase	20071005
WO-2009045419-A1	Novel azetidinones useful as inhibitors of elastase	20071005
JP-H10130232-A	Azetidinone derivative and method for producing the same	19961024
AU-701386-B2	Process for preparing substituted azetidinones	19951031

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Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.115029749
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.115029749
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8