3,4-Dihydro-2H-pyran-2-methanol - CAS 3749-36-8

Catalog:	BB023309
Product Name:	3,4-Dihydro-2H-pyran-2-methanol
CAS:	3749-36-8
Synonyms:	2-Hydroxymethyl-3,4-dihydro-2H-pyran; DHP linker

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,4-dihydro-2H-pyran-2-ylmethanol
Description:	3,4-Dihydro-2H-pyran-2-methanol (CAS# 3749-36-8) is a useful research chemical.
Molecular Weight:	114.14
Molecular Formula:	C6H10O2
Canonical SMILES:	C1CC(OC=C1)CO
InChI:	InChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h2,4,6-7H,1,3,5H2
InChI Key:	XMICBFRKICBBKD-UHFFFAOYSA-N
Boiling Point:	92-93 °C
Purity:	98 %
Density:	1.101 g/mL
Appearance:	Liquid
Storage:	2-8 °C
MDL:	MFCD00051507
LogP:	0.67140

Publication Number	Title	Priority Date
WO-2021209055-A1	Imidazolinone derivative and use thereof in medicine	20200417
WO-2021195295-A1	Bifunctional molecules and methods of using thereof	20200324
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Related Functional Groups

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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:	88.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.068079557
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5