1,3-Benzenedicarboxylic acid, dibutyl ester


Chemical Name: 1,3-Benzenedicarboxylic acid, dibutyl ester
CAS Number: 3126-90-7
Product Number: AG00BC3B(AGN-PC-0JKE28)
Synonyms:
MDL No:
Molecular Formula: C16H22O4
Molecular Weight: 278.3435

Identification/Properties


Properties
BP:
341.16°C (rough estimate)
Storage:
Room Temperature;
Refractive Index:
1.4350 (estimate)
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:
273
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


NMR Spectrum


Other Analytical Data


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