2-Butenedioic acid (2E)-, dioctyl ester


Chemical Name: 2-Butenedioic acid (2E)-, dioctyl ester
CAS Number: 2997-85-5
Product Number: AG003POP(AGN-PC-0R5DOB)
Synonyms:
MDL No:
Molecular Formula: C20H36O4
Molecular Weight: 340.4974

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
340.504g/mol
XLogP3:
7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
18
Exact Mass:
340.261g/mol
Monoisotopic Mass:
340.261g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
305
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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