(Z)-2-Methyl-2-butenoic Acid Potassium Salt - CAS 65885-66-7

Catalog:	BB075864
Product Name:	(Z)-2-Methyl-2-butenoic Acid Potassium Salt
CAS:	65885-66-7
Synonyms:	Potassium (Z)-2-methylbut-2-enoate

Technical Data

IUPAC Name:	potassium(Z)-2-methylbut-2-enoate
Description:	(Z)-2-Methyl-2-butenoic Acid Potassium Salt is an intermediate in the synthesis of (+)-Echimidine N-Oxide, which is a a hepatotoxic pyrrolizidine alkaloid. Different extracts and echimidine-N-oxide from Symphytum sylvaticum Boiss. Subsp. sepulcrale, has been shown to have Antifungal activity.
Molecular Weight:	138.21
Molecular Formula:	C5H7KO2
Canonical SMILES:	CC=C(C)C(=O)[O-].[K+]
InChI:	InChI=1S/C5H8O2.K/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/q+1/p-1/b4-3-
InChI Key:	LLBTVDZUDXNWJN-LNKPDPKZSA-M
Solubility:	Water
Appearance:	White Solid
References:	Kartal, M., et al. Turkish, J. Med. Sci., 31, 487 (2001); Cao, Y., J. Food Comp. Anal., 29, 106 (2013).

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	138.00831095
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.00831095
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0