Dimethyl 2-hydroxymalonate - CAS 34259-29-5

Technical Data

IUPAC Name:	dimethyl 2-hydroxypropanedioate
Description:	Dimethyl 2-hydroxymalonate, is a building block used in various chemical synthesis, and a derivative of Tartronic acids which best known as a reactant in the catalytic oxidation with air to form mesoxalic acid, another type of hydroxydicarboxylic acid.
Molecular Weight:	148.11
Molecular Formula:	C5H8O5
Canonical SMILES:	COC(=O)C(C(=O)OC)O
InChI:	InChI=1S/C5H8O5/c1-9-4(7)3(6)5(8)10-2/h3,6H,1-2H3
InChI Key:	CXIUHIBOASGVGV-UHFFFAOYSA-N
Melting Point:	42-47°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	Bak, B., Justus Liebigs Annalen der Chemie, Vol.537, P: 286-92 (1939).

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.03717335
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.03717335
Rotatable Bond Count:	4
Topological Polar Surface Area:	72.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4