1,3-Cyclohexanedione, 5-propyl-


Chemical Name: 1,3-Cyclohexanedione, 5-propyl-
CAS Number: 57641-89-1
Product Number: AG00EF1A(AGN-PC-0KK8DN)
Synonyms:
MDL No: MFCD00129456
Molecular Formula: C9H14O2
Molecular Weight: 154.2063

Identification/Properties


Computed Properties
Molecular Weight:
154.209g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
154.099g/mol
Monoisotopic Mass:
154.099g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
156
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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