2H-Pyran-2-one - CAS 504-31-4

Catalog:	BB027054
Product Name:	2H-Pyran-2-one
CAS:	504-31-4
Synonyms:	pyran-2-one

Technical Data

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Computed Properties

IUPAC Name:	pyran-2-one
Description:	2H-Pyran-2-one (CAS# 504-31-4) is a useful research chemical.
Molecular Weight:	96.08
Molecular Formula:	C5H4O2
Canonical SMILES:	C1=CC(=O)OC=C1
InChI:	InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
InChI Key:	ZPSJGADGUYYRKE-UHFFFAOYSA-N
Boiling Point:	102-103 °C / 20 mmHg (lit.)
Density:	1.192 g/cm³
Appearance:	Very pale yellow-reddish yellow clear liquid
MDL:	MFCD00006639
LogP:	0.63980

Publication Number	Title	Priority Date
WO-2015188085-A1	Immunoregulatory agents	20140606
WO-2015184492-A1	Bacteriostatic surfaces	20140605
WO-2015185440-A1	P-doping cross-linking of organic hole transporters	20140603
WO-2015180901-A1	Bi-nuclear main group metal phosphorescent emitter	20140529
WO-2015178955-A1	Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors	20140519

PMID	Publication Date	Title	Journal
31340171	20190901	Production optimization and biosynthesis revision of corallopyronin A, a potent anti-filarial antibiotic	Metabolic engineering
29098212	20171219	Synthesis and biological assessment of 3,7-dihydroxytropolones	Organic & biomolecular chemistry
23867916	20130912	Alpha, beta-unsaturated lactones 2-furanone and 2-pyrone induce cellular DNA damage, formation of topoisomerase I- and II-DNA complexes and cancer cell death	Toxicology letters
23353126	20130125	Synergism of antifungal activity between mitochondrial respiration inhibitors and kojic acid	Molecules (Basel, Switzerland)
22526834	20121201	Anti-leukemic effect of 2-pyrone derivatives via MAPK and PI3 kinase pathways	Investigational new drugs

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Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.02112936600001
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	96.02112936600001
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8