3-Hydroxy-2H-pyran-2-one - CAS 496-64-0
Catalog:
BB046701
Product Name:
3-Hydroxy-2H-pyran-2-one
CAS:
496-64-0
Synonyms:
3-Hydroxy-2-pyrone; 3-Hydroxypyrone; 3-hydroxy-2-pyranone; Hydroxycoumalin; Isopyromucic acid; 3-Hydroxy-a-pyrone; 3-Hydroxy-2H-Pyran-4-one
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BB046701
5 g
$839
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IUPAC Name: 3-hydroxypyran-2-one
Description: 3-Hydroxy-2H-pyran-2-one (CAS# 496-64-0 ) is a useful research chemical.
Molecular Weight: 112.08
Molecular Formula: C5H4O3
Canonical SMILES: C1=COC(=O)C(=C1)O
InChI: InChI=1S/C5H4O3/c6-4-2-1-3-8-5(4)7/h1-3,6H
InChI Key: LIPRKYKMVQPYPG-UHFFFAOYSA-N
Boiling Point: 295.7 °C at 760 mmHg
Melting Point: >84 °C (dec.)
Purity: ≥ 95 %
Density: 1.483 g/cm3
Solubility: Soluble in Chloroform, Methanol (Slightly)
Appearance: Light beige to beige solid
LogP: -0.763 (est)
GHS Hazard Statement: H316 (100%): Causes mild skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement: P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P332+P317, P337+P317, P403+P233, P405, and P501
Signal Word: Warning
Complexity: 167
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 112.016043985
Formal Charge: 0
Heavy Atom Count: 8
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 112.016043985
Rotatable Bond Count: 0
Topological Polar Surface Area: 46.5
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.6
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