rac 3-Hydroxyisobutyric Acid Sodum Salt - CAS 1219589-99-7

Catalog:	BB064357
Product Name:	rac 3-Hydroxyisobutyric Acid Sodum Salt
CAS:	1219589-99-7
Synonyms:	3-HIB; sodium; 3-hydroxy-2-methylpropanoate; 3-Hydroxy-2-methylpropionic acid sodium; 3-Hydroxyisobutyrate (sodium salt); Sodium 3-hydroxy-2-methylpropionate; 3HIB; 3-Hydroxy-2-methylpropionic acid sodium salt

Technical Data

IUPAC Name:	sodium3-hydroxy-2-methylpropanoate
Description:	rac 3-Hydroxyisobutyric Acid Sodum Salt can be useful in the production of acrylic acid from pyrolysis of genetically engineered microbe producing poly-3-hydroxypropionate and products made therefrom.
Molecular Weight:	127.09
Molecular Formula:	C4H8O3·Na
Canonical SMILES:	CC(CO)C(=O)[O-].[Na+]
InChI:	InChI=1S/C4H8O3.Na/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/q+1/p-1
InChI Key:	RBJZIQZDAZLXEK-UHFFFAOYSA-M
References:	Harris, S., et al. PCT Int. Appl., WO 2013185009, 94pp. (2013).

Complexity:	73.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.02928836
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.02928836
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0