1,2-Benzenedicarboxylic acid, bis(3-methylbutyl) ester


Chemical Name: 1,2-Benzenedicarboxylic acid, bis(3-methylbutyl) ester
CAS Number: 605-50-5
Product Number: AG0039EQ(AGN-PC-0JL8S2)
Synonyms:
MDL No:
Molecular Formula: C18H26O4
Molecular Weight: 306.3966

Identification/Properties


Computed Properties
Molecular Weight:
306.402g/mol
XLogP3:
5.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
10
Exact Mass:
306.183g/mol
Monoisotopic Mass:
306.183g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
315
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:
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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