Hexenal, (E)-


Chemical Name: Hexenal, (E)-
CAS Number: 6728-26-3
Product Number: AG003UWC(AGN-PC-0OG20M)
Synonyms:
MDL No:
Molecular Formula: C6H10O
Molecular Weight: 98.1430

Identification/Properties


Properties
MP:
-78°C (estimate)
BP:
47°C at 17 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.446(lit.)
Computed Properties
Molecular Weight:
98.145g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
98.073g/mol
Monoisotopic Mass:
98.073g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
64.6
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1988
Hazard Statements:
H226-H302-H311-H317
Precautionary Statements:
P280-P312
Class:
3,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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