3-Hexanone, 1-phenyl-


Chemical Name: 3-Hexanone, 1-phenyl-
CAS Number: 29898-25-7
Product Number: AG00I5JI(AGN-PC-0BXAIU)
Synonyms:
MDL No:
Molecular Formula: C12H16O
Molecular Weight: 176.2548

Identification/Properties


Properties
BP:
260.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
176.259g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
176.12g/mol
Monoisotopic Mass:
176.12g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
145
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-H315-H319
Precautionary Statements:
P261-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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