4-(Hydroxymethyl)-4-methyltetrahydropyran - CAS 502609-47-4

Catalog:	BB026980
Product Name:	4-(Hydroxymethyl)-4-methyltetrahydropyran
CAS:	502609-47-4
Synonyms:	(4-methyl-4-oxanyl)methanol; (4-methyloxan-4-yl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(4-methyloxan-4-yl)methanol
Description:	4-(Hydroxymethyl)-4-methyltetrahydropyran (CAS# 502609-47-4) is a useful research chemical.
Molecular Weight:	130.18
Molecular Formula:	C7H14O2
Canonical SMILES:	CC1(CCOCC1)CO
InChI:	InChI=1S/C7H14O2/c1-7(6-8)2-4-9-5-3-7/h8H,2-6H2,1H3
InChI Key:	HKNGCILTDHGUEO-UHFFFAOYSA-N
LogP:	0.79540

Publication Number	Title	Priority Date
US-2021147360-A1	Ssao inhibitors and use thereof	20191029
WO-2021083209-A1	Ssao inhibitors and use thereof	20191029
WO-2020087202-A1	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of m4 muscarinic acetylcholine receptor	20181029
WO-2020092102-A2	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor	20181029
EP-3873467-A2	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor	20181029

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Related Functional Groups

Alcohols and Derivatives

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	84.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.099379685
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.099379685
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5