4H-Pyran-4-one, tetrahydro-


Chemical Name: 4H-Pyran-4-one, tetrahydro-
CAS Number: 29943-42-8
Product Number: AG00344O(AGN-PC-0JLNLA)
Synonyms:
MDL No: MFCD00006581
Molecular Formula: C5H8O2
Molecular Weight: 100.1158

Identification/Properties


Properties
MP:
107 - 108 °C
BP:
166-166.5°C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.452(lit.)
Computed Properties
Molecular Weight:
100.117g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
100.052g/mol
Monoisotopic Mass:
100.052g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
70.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1224
Hazard Statements:
H226
Precautionary Statements:
P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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