2-Hexenoic acid, (2E)-


Chemical Name: 2-Hexenoic acid, (2E)-
CAS Number: 13419-69-7
Product Number: AG00HT96(AGN-PC-0O15FD)
Synonyms:
MDL No: MFCD00002705
Molecular Formula: C6H10O2
Molecular Weight: 114.1424

Identification/Properties


Properties
MP:
33-35 °C
BP:
216.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.438(lit.)
Computed Properties
Molecular Weight:
114.144g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
114.068g/mol
Monoisotopic Mass:
114.068g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
94.7
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


NMR Spectrum


Other Analytical Data


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