1,2-Benzenedicarboxylic acid, diundecyl ester


Chemical Name: 1,2-Benzenedicarboxylic acid, diundecyl ester
CAS Number: 3648-20-2
Product Number: AG00I78C(AGN-PC-0JKEL3)
Synonyms:
MDL No:
Molecular Formula: C30H50O4
Molecular Weight: 474.7156

Identification/Properties


Computed Properties
Molecular Weight:
474.726g/mol
XLogP3:
12.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
24
Exact Mass:
474.371g/mol
Monoisotopic Mass:
474.371g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
446
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
H410
Precautionary Statements:
P273-P391-P501
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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