7-Hydroxyheptanoic Acid Sodium Salt - CAS 16889-73-9

Catalog:	BB061070
Product Name:	7-Hydroxyheptanoic Acid Sodium Salt
CAS:	16889-73-9
Synonyms:	Sodium 7-hydroxyheptanoate; Sodium; 7-hydroxyheptanoate; 7-Hydroxyheptanoic Acid Sodium Salt

Technical Data

IUPAC Name:	sodium7-hydroxyheptanoate
Description:	7-Hydroxyheptanoic Acid is used as a reagent in the preparation of polymer-supported stannols and distannoxanes. As well it is used in the synthesis of (S)-curvularin, and anti-inflammatory compound.
Molecular Weight:	168.17
Molecular Formula:	C7H13NaO3
Canonical SMILES:	C(CCCO)CCC(=O)[O-].[Na+]
InChI:	InChI=1S/C7H14O3.Na/c8-6-4-2-1-3-5-7(9)10/h8H,1-6H2,(H,9,10)/q+1/p-1
InChI Key:	DXNUPBZJXIFDPU-UHFFFAOYSA-M
Melting Point:	>188°C (dec.)
Solubility:	DMSO (Sparingly), Methanol (Sparingly), Water
Appearance:	Pale Beige to Beige Solid
Storage:	Room Temperature
References:	Hunter, D. et al. Organomatal., 18, 5577 (1999); Elzner, S. et al. ChemMedChem., 3, 924 (2008).

Complexity:	95.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.07623855
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.07623855
Rotatable Bond Count:	6
Topological Polar Surface Area:	60.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0