Dimethyl undecanedioate - CAS 4567-98-0

Catalog:	BB025965
Product Name:	Dimethyl undecanedioate
CAS:	4567-98-0
Synonyms:	dimethyl undecanedioate

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Computed Properties

IUPAC Name:	dimethyl undecanedioate
Description:	Dimethyl undecanedioate (CAS# 4567-98-0 ) is a useful research chemical.
Molecular Weight:	244.33
Molecular Formula:	C13H24O4
Canonical SMILES:	COC(=O)CCCCCCCCCC(=O)OC
InChI:	InChI=1S/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3
InChI Key:	LADJFIHHYMBJHB-UHFFFAOYSA-N
Boiling Point:	123-124 ℃ / 2 mmHg (lit.)
Density:	0.983 g/cm³
MDL:	MFCD00025899
LogP:	2.84330

Publication Number	Title	Priority Date
US-11028217-B1	Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols	20200313
US-11111334-B1	Polymerizable compositions comprising nitro substituted polyester diols	20200313
US-2021284793-A1	Polymerizable compositions comprising nitro-substituted polyester diols	20200313
WO-2021183883-A1	Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols	20200313
WO-2021183891-A1	Polymerizable compositions comprising nitro-substituted polyester diols	20200313

PMID	Publication Date	Title	Journal
16572997	20060201	[GC-MS analysis of the fatty components of pollen Typhae before and after being carbonized]	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica

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Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.16745924
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.16745924
Rotatable Bond Count:	12
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5