Tetrahydropyran-4,4-dimethanol - CAS 89975-77-9

Catalog:	BB057132
Product Name:	Tetrahydropyran-4,4-dimethanol
CAS:	89975-77-9
Synonyms:	[4-(Hydroxymethyl)oxan-4-yl]methanol; Tetrahydropyran-4,4-dimethanol; (tetrahydro-2H-pyran-4,4-diyl)dimethanol; (Oxane-4,4-diyl)dimethanol

Technical Data

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Computed Properties

IUPAC Name:	[4-(hydroxymethyl)oxan-4-yl]methanol
Description:	Tetrahydropyran-4,4-dimethanol (cas# 89975-77-9) is a useful research chemical.
Molecular Weight:	146.18
Molecular Formula:	C7H14O3
Canonical SMILES:	C1COCCC1(CO)CO
InChI:	InChI=1S/C7H14O3/c8-5-7(6-9)1-3-10-4-2-7/h8-9H,1-6H2
InChI Key:	NKSPVEFJJKKISK-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020014332-A1	Adenosine receptor binding compounds	20180710
CN-112423758-A	Adenosine receptor binding compounds	20180710
EP-3820474-A1	Adenosine receptor binding compounds	20180710
US-2021355104-A1	Adenosine receptor binding compounds	20180710
WO-2017106071-A1	Spirocyclic quinolizine derivatives useful as hiv integrase inhibitors	20151215
AU-2016293444-A1	Substituted tricyclics and method of use	20150716
AU-2016293444-B2	Substituted tricyclics and method of use	20150716
EP-3322697-A1	Substituted tricyclics and method of use	20150716
EP-3322697-B1	Substituted tricyclics and method of use	20150716
TW-201713636-A	Substituted tricyclic compounds and methods of use thereof	20150716

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	91
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.094294304
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	146.094294304
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7