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Ethyl 2-methyl-2,3-butadienoate

Ethyl 2-methyl-2,3-butadienoate - CAS 5717-41-9

Catalog:	BB029599
Product Name:	Ethyl 2-methyl-2,3-butadienoate
CAS:	5717-41-9
Synonyms:	ethyl 2-methylbuta-2,3-dienoate

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Computed Properties

Description:	Ethyl 2-methyl-2,3-butadienoate (CAS# 5717-41-9) is a useful research chemical.
Molecular Weight:	126.15
Molecular Formula:	C7H10O2
Canonical SMILES:	CCOC(=O)C(=C=C)C
InChI:	InChI=1S/C7H10O2/c1-4-6(3)7(8)9-5-2/h1,5H2,2-3H3
InChI Key:	QFTBEYHBIFWGHJ-UHFFFAOYSA-N
LogP:	1.28070

Publication Number	Title	Priority Date
US-2018118770-A1	N-Heterocyclic Phosphines	20140909
US-2013310417-A1	Small Molecules For Endothelial Cell Activation	20110224
US-2013289073-A1	Chemical inhibitors of cholesterol biosynthesis and venous angiogenesis	20110114
US-9084782-B2	Chemical inhibitors of cholesterol biosynthesis and venous angiogenesis	20110114
WO-2011113718-A1	Composition containing a dibenzoylmethane screening agent and a hydrophilic or water-soluble merocyanin uv-screening agent; process for photostabilizing the dibenzoylmethane screening agent	20100315

PMID	Publication Date	Title	Journal
17236229	20070101	A facile synthetic route to 2 H-chromenes: reconsideration of the mechanism of the DBU-catalyzed reaction between salicylic aldehydes and ethyl 2-methylbuta-2,3-dienoate	Chemistry (Weinheim an der Bergstrasse, Germany)
16178575	20050929	Synthesis of functionalized 2H-1-benzopyrans by DBU-catalyzed reactions of salicylic aldehydes with allenic ketones and esters	Organic letters
12696883	20030423	An expedient phosphine-catalyzed [4 + 2] annulation: synthesis of highly functionalized tetrahydropyridines	Journal of the American Chemical Society

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	152
Compound Is Canonicalized:	No
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.068079557
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	126.068079557
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1