2-Hexenoic acid, 3-methyl-, (2E)-


Chemical Name: 2-Hexenoic acid, 3-methyl-, (2E)-
CAS Number: 27960-21-0
Product Number: AG003JP6(AGN-PC-0O8JJO)
Synonyms:
MDL No:
Molecular Formula: C7H12O2
Molecular Weight: 128.1690

Identification/Properties


Properties
MP:
-9.25°C (estimate)
BP:
237.28°C (estimate)
Storage:
2-8℃;Keep in dry area;
Form:
Solid
Refractive Index:
1.4273 (estimate)
Computed Properties
Molecular Weight:
128.171g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
128.084g/mol
Monoisotopic Mass:
128.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
125
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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