1,3-Benzenedicarboxylic acid, diphenyl ester


Chemical Name: 1,3-Benzenedicarboxylic acid, diphenyl ester
CAS Number: 744-45-6
Product Number: AG00ICIP(AGN-PC-0JL997)
Synonyms:
MDL No:
Molecular Formula: C20H14O4
Molecular Weight: 318.3228

Identification/Properties


Computed Properties
Molecular Weight:
318.328g/mol
XLogP3:
5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
318.089g/mol
Monoisotopic Mass:
318.089g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
383
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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