2-Hexenoic acid, ethyl ester, (2E)-


Chemical Name: 2-Hexenoic acid, ethyl ester, (2E)-
CAS Number: 27829-72-7
Product Number: AG002UV8(AGN-PC-0O8J1Y)
Synonyms:
MDL No: MFCD00036541
Molecular Formula: C8H14O2
Molecular Weight: 142.1956

Identification/Properties


Properties
MP:
-2 °C(lit.);
BP:
172.6°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.46(lit.)
Computed Properties
Molecular Weight:
142.198g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
142.099g/mol
Monoisotopic Mass:
142.099g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
116
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#:
3272
Hazard Statements:
H227
Precautionary Statements:
P210-P280-P370+P378-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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