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4H-Pyran-4-one

4H-Pyran-4-one structure

CAS No:
108-97-4
Formula:
C5H4O2
Chemical Name:
4H-Pyran-4-one
Synonyms:
4H-Pyran-4-one;4-Pyrone;4H-Pyran,4-oxo-;γ-Pyrone;Pyran-4-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

ChEBI: A pyranone that is 4H-pyran substituted by an oxo group at position 4.

4H-pyran-4-one is a pyranone that is 4H-pyran substituted by an oxo group at position 4. It derives from a hydride of a 4H-pyran.

4H-Pyran-4-one Basic Attributes

Molecular Weight：

96.08

Exact Mass：

96.08

EC Number：

203-634-8

UNII：

UJ7X07IM7Z

DSSTox ID：

DTXSID20148352

HScode：

2932999099

Characteristics

PSA：

26.3

XLogP3：

0.1

Density：

1.2

Melting Point：

32.5 °C

Boiling Point：

212.5 °C

Flash Point：

214 °F

Refractive Index：

1.5238

Storage Conditions：

2-8°C

Safety Information

wgk germany：

safety instructions：

22-24/25

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:96.08
XLogP3:0.1
Hydrogen Bond Acceptor Count:2
Exact Mass:96.021129366
Monoisotopic Mass:96.021129366
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes