1,4-Benzenedicarboxylic acid, dibutyl ester


Chemical Name: 1,4-Benzenedicarboxylic acid, dibutyl ester
CAS Number: 1962-75-0
Product Number: AG00AONW(AGN-PC-0JKCNV)
Synonyms:
MDL No:
Molecular Formula: C16H22O4
Molecular Weight: 278.3435

Identification/Properties


Computed Properties
Molecular Weight:
278.348g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
10
Exact Mass:
278.152g/mol
Monoisotopic Mass:
278.152g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
263
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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