Ethyl (Z)-3-Iodo-2-butenoate - CAS 34450-62-9

Catalog:	BB022141
Product Name:	Ethyl (Z)-3-Iodo-2-butenoate
CAS:	34450-62-9
Synonyms:	(Z)-3-iodo-2-butenoic acid ethyl ester; ethyl (Z)-3-iodobut-2-enoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl (Z)-3-iodobut-2-enoate
Description:	Ethyl (Z)-3-Iodo-2-butenoate (CAS# 34450-62-9 ) is a useful research chemical.
Molecular Weight:	240.04
Molecular Formula:	C6H9IO2
Canonical SMILES:	CCOC(=O)C=C(C)I
InChI:	InChI=1S/C6H9IO2/c1-3-9-6(8)4-5(2)7/h4H,3H2,1-2H3/b5-4-
InChI Key:	LTFHTHBCTYXEAD-PLNGDYQASA-N
Boiling Point:	215 °C (lit.)
Density:	1.639 g/mL at 25 °C(lit.)
LogP:	1.88830

Publication Number	Title	Priority Date
CA-2955798-A1	Substituted cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes as active substancesagainst abiotic plant stress	20140722
EP-3172187-A1	Substituted cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes as active substances against abiotic plant stress	20140722
JP-2017528432-A	Substituted cyanocycloalkylpenta-2,4-dienes, cyanocycloalkylpent-2-ene-4-ynes, cyanoheterocyclic penta-2,4-dienes as active substances against abiotic plant stress And cyanoheterocyclic penta-2-en-4-ynes	20140722
TW-201617311-A	Substituted cyanocycloalkylpenta-2,4-dienes, cyanocycloalkylpent-2-en-4-ynes, cyanoheterocyclylpenta-2,4-dienes and cyanoheterocyclylpent-2-en-4-ynes as active ingredients against abiotic plant stress	20140722
US-10322995-B2	Substituted cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes as active substances against abiotic plant stress	20140722

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	239.96473
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.96473
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2