3-(Hydroxymethyl)-2-methylfuran - CAS 5554-99-4

Catalog:	BB029081
Product Name:	3-(Hydroxymethyl)-2-methylfuran
CAS:	5554-99-4
Synonyms:	(2-methyl-3-furanyl)methanol; (2-methylfuran-3-yl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-methylfuran-3-yl)methanol
Description:	3-(Hydroxymethyl)-2-methylfuran (CAS# 5554-99-4) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C6H8O2
Canonical SMILES:	CC1=C(C=CO1)CO
InChI:	InChI=1S/C6H8O2/c1-5-6(4-7)2-3-8-5/h2-3,7H,4H2,1H3
InChI Key:	FTYOGLDPNBZSQC-UHFFFAOYSA-N
Boiling Point:	75.1 °C at 760 mmHg
Density:	1.095 g/cm³
MDL:	MFCD00052572
LogP:	1.08030

Publication Number	Title	Priority Date
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607
JP-2020117473-A	Process for producing pentenomycin derivative	20190126
WO-2019159871-A1	Production method for cyclopentenone derivative	20180213
DE-112019000777-T5	METHOD OF MANUFACTURING A CYCLOPENTENONE DERIVATIVE	20180213
US-2021024444-A1	Production method for cyclopentenone derivative	20180213

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Complexity:	72.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.052429494
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5