Bicyclo[2.2.2]octane-1,4-dimethanol - CAS 826-45-9

Catalog:	BB036869
Product Name:	Bicyclo[2.2.2]octane-1,4-dimethanol
CAS:	826-45-9
Synonyms:	[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol; [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
Description:	Bicyclo[2.2.2]octane-1,4-dimethanol (CAS# 826-45-9 ) is a useful research chemical.
Molecular Weight:	170.25
Molecular Formula:	C10H18O2
Canonical SMILES:	C1CC2(CCC1(CC2)CO)CO
InChI:	InChI=1S/C10H18O2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h11-12H,1-8H2
InChI Key:	DLBHMXBDKPROEG-UHFFFAOYSA-N
LogP:	1.31160

Publication Number	Title	Priority Date
WO-2021210647-A1	Copolymerized polycarbonate resin, and heat storage material and heat storage molded body containing same	20200415
US-2021147672-A1	Crystallizable resins	20191031
US-2020190318-A1	Polyesters with specified crystallization half-times	20181213
WO-2020123775-A1	Polyesters with specified crystallization half-times	20181213
US-10836899-B2	Polyesters with specified crystallization half-times	20181213

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Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.130679813
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.130679813
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8