Hexane, phenyl-


Chemical Name: Hexane, phenyl-
CAS Number: 1077-16-3
Product Number: AG003QXH(AGN-PC-0JKBK4)
Synonyms:
MDL No:
Molecular Formula: C12H18
Molecular Weight: 162.2713

Identification/Properties


Properties
MP:
-61℃ (lit.)
BP:
226°C at 760 mmHg
Form:
Liquid
Computed Properties
Molecular Weight:
162.276g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
5
Exact Mass:
162.141g/mol
Monoisotopic Mass:
162.141g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
90.2
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#:
3082
Hazard Statements:
H315-H319-H335-H400
Precautionary Statements:
P261-P273-P305+P351+P338
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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