(S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone - CAS 32780-06-6

Catalog:	BB021410
Product Name:	(S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone
CAS:	32780-06-6
Synonyms:	(5S)-5-(hydroxymethyl)-2-oxolanone; (5S)-5-(hydroxymethyl)oxolan-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(5S)-5-(hydroxymethyl)oxolan-2-one
Description:	(S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone (CAS# 32780-06-6) is a useful research chemical.
Molecular Weight:	116.12
Molecular Formula:	C5H8O3
Canonical SMILES:	C1CC(=O)OC1CO
InChI:	InChI=1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m0/s1
InChI Key:	NSISJFFVIMQBRN-BYPYZUCNSA-N
Boiling Point:	308.9 °C at 760 mmHg
Density:	1.237 g/cm³
Appearance:	Color light yellow clear viscous liquid
MDL:	MFCD00066224
LogP:	-0.31570

Publication Number	Title	Priority Date
CN-111253349-A	Method for preparing 5-hydroxymethyl dihydrofuran-2-ketone by taking furfural as raw material	20200316
CN-109332177-A	Chrysanthemum high-efficiency dynamic deashing cleaner	20180822
JP-2019137615-A	Anticancer drug resistance inhibitor	20180206
WO-2019149228-A1	Substituted imidazole formate derivative and use thereof	20180130
EP-3747869-A1	Substituted imidazole formate derivative and use thereof	20180130

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GHS Hazard Statement:	H302 (94.74%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	99.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	116.047344113
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4