2,4-Hexadienoic acid, ethyl ester, (2E,4E)-


Chemical Name: 2,4-Hexadienoic acid, ethyl ester, (2E,4E)-
CAS Number: 2396-84-1
Product Number: AG0034WU(AGN-PC-0O84ZQ)
Synonyms:
MDL No:
Molecular Formula: C8H12O2
Molecular Weight: 140.1797

Identification/Properties


Properties
MP:
95-98℃
BP:
195.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.494(lit.)
Solubility:
Soluble in alcohol.
Computed Properties
Molecular Weight:
140.182g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
140.084g/mol
Monoisotopic Mass:
140.084g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
145
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H411
Precautionary Statements:
P273
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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