Dimethyl 2,2-Bis(hydroxymethyl)malonate - CAS 35329-73-8

Catalog:	BB022611
Product Name:	Dimethyl 2,2-Bis(hydroxymethyl)malonate
CAS:	35329-73-8
Synonyms:	2,2-bis(hydroxymethyl)propanedioic acid dimethyl ester; dimethyl 2,2-bis(hydroxymethyl)propanedioate

Technical Data

Patents

Computed Properties

IUPAC Name:	dimethyl 2,2-bis(hydroxymethyl)propanedioate
Description:	A regent used for the synthesis of HIV-1 protease inhibitors and antiplasmin drugs.
Molecular Weight:	192.17
Molecular Formula:	C7H12O6
Canonical SMILES:	COC(=O)C(CO)(CO)C(=O)OC
InChI:	InChI=1S/C7H12O6/c1-12-5(10)7(3-8,4-9)6(11)13-2/h8-9H,3-4H2,1-2H3
InChI Key:	YOILECYJGFXOJF-UHFFFAOYSA-N
Boiling Point:	327 °C at 760 mmHg
Density:	1.315 g/cm³
LogP:	-1.69660

Publication Number	Title	Priority Date
US-11034664-B1	Synthesis of cyclic carbonate monomers	20200511
EP-2382275-A1	Electrocoat composition and process replacing phosphate pretreatment	20081229
EP-2382275-B1	Electrocoat composition and process replacing phosphate pretreatment	20081229
US-2010166973-A1	Electrocoat composition and process replacing phosphate pretreatment	20081229
US-2010167072-A1	Electrocoat composition and process replacing phosphate pretreatment	20081229

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Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.0633881
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	192.0633881
Rotatable Bond Count:	6
Topological Polar Surface Area:	93.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4