1,2-Benzenedicarboxylic acid, mono(phenylmethyl) ester


Chemical Name: 1,2-Benzenedicarboxylic acid, mono(phenylmethyl) ester
CAS Number: 2528-16-7
Product Number: AG003TRJ(AGN-PC-0LO0D0)
Synonyms:
MDL No:
Molecular Formula: C15H12O4
Molecular Weight: 256.2534

Identification/Properties


Properties
MP:
106 °C
BP:
441.07 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Refractive Index:
1.4872 (estimate)
Computed Properties
Molecular Weight:
256.257g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
256.074g/mol
Monoisotopic Mass:
256.074g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
320
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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