3-Hexenedioic acid, dimethyl ester, (3E)-


Chemical Name: 3-Hexenedioic acid, dimethyl ester, (3E)-
CAS Number: 25126-93-6
Product Number: AG002QKP(AGN-PC-0O897R)
Synonyms:
MDL No:
Molecular Formula: C8H12O4
Molecular Weight: 172.1785

Identification/Properties


Properties
MP:
17°C
BP:
221.4°C at 760 mmHg
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
1.4470 to 1.4500
Computed Properties
Molecular Weight:
172.18g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
172.073559g/mol
Monoisotopic Mass:
172.073559g/mol
Topological Polar Surface Area:
52.6Ų
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
164
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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