4H-Pyran-4-one, 2,6-dimethyl-


Chemical Name: 4H-Pyran-4-one, 2,6-dimethyl-
CAS Number: 1004-36-0
Product Number: AG0001X0(AGN-PC-0JKBF2)
Synonyms:
MDL No:
Molecular Formula: C7H8O2
Molecular Weight: 124.1372

Identification/Properties


Computed Properties
Molecular Weight:
124.139g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
124.052g/mol
Monoisotopic Mass:
124.052g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
179
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:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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