(2E)-2,4-Pentadienoic Acid Ethyl Ester - CAS 13369-23-8

Catalog:	BB058339
Product Name:	(2E)-2,4-Pentadienoic Acid Ethyl Ester
CAS:	13369-23-8
Synonyms:	(E)-2,4-Pentadienoic Acid Ethyl Ester; Ethyl (2E)-Penta-2,4-dienoate; Ethyl (E)-2,4-Pentadienoate; Ethyl (E)-2,4-Pentadienoate; Ethyl trans-2,4-Pentadienoate

Technical Data

IUPAC Name:	ethyl (2E)-penta-2,4-dienoate
Description:	(2E)-2,4-Pentadienoic Acid Ethyl Ester is the ethyl ester derivative of (2E)-2,4-Pentadienoic Acid (P268350) and is used as a reagent in the synthesis of the oxopolyene macrolide Dermostatin A.
Molecular Weight:	126.15
Molecular Formula:	C7H10O2
Canonical SMILES:	CCOC(=O)C=CC=C
InChI:	InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,5-6H,1,4H2,2H3/b6-5+
InChI Key:	MOJNQUDSDVIYEO-AATRIKPKSA-N
References:	Zhang, Y., et al. J. Org. Chem., 76, 7641 (2011).

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
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:	4
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7