2,4-Hexanedione


Chemical Name: 2,4-Hexanedione
CAS Number: 3002-24-2
Product Number: AG00BD66(AGN-PC-0JLPZ2)
Synonyms:
MDL No:
Molecular Formula: C6H10O2
Molecular Weight: 114.1424

Identification/Properties


Computed Properties
Molecular Weight:
114.144g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
114.068g/mol
Monoisotopic Mass:
114.068g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
105
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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