Ethyl 2,3-pentadienoate - CAS 74268-51-2

Catalog:	BB035042
Product Name:	Ethyl 2,3-pentadienoate
CAS:	74268-51-2
Synonyms:	ethyl penta-2,3-dienoate

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Computed Properties

Description:	Ethyl 2,3-pentadienoate (CAS# 74268-51-2 ) is a useful research chemical.
Molecular Weight:	126.15
Molecular Formula:	C7H10O2
Canonical SMILES:	CCOC(=O)C=C=CC
InChI:	InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,6H,4H2,1-2H3
InChI Key:	JGEKOPSQLCPNGA-UHFFFAOYSA-N
LogP:	1.28070

Publication Number	Title	Priority Date
US-2018118770-A1	N-Heterocyclic Phosphines	20140909
US-2011178138-A1	Inhibitors of protein prenyltransferases	20080728
WO-2010014054-A1	Inhibitors of protein prenyltransferases	20080728
AU-2007229457-A1	Inhibitors of protein prenyltransferases	20060322
CA-2647038-A1	Inhibitors of protein prenyltransferases	20060322

PMID	Publication Date	Title	Journal
16292830	20051125	Aza-Baylis-Hillman reactions of N-tosylated aldimines with activated allenes and alkynes in the presence of various Lewis base promoters	The Journal of organic chemistry

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Related Functional Groups

Allenes

[77494-35-0]
2-(Trimethylsilyl)-2,3-pentadiene
[5664-17-5]
Cyclohexylallene
[1000-87-9]
2,4-Dimethyl-2,3-pentadiene

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	141
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9