1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester


Chemical Name: 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
CAS Number: 85-68-7
Product Number: AG0034KL(AGN-PC-00UO2J)
Synonyms:
MDL No:
Molecular Formula: C19H20O4
Molecular Weight: 312.3597

Identification/Properties


Properties
MP:
<-35 °C
BP:
408.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.54(lit.)
Computed Properties
Molecular Weight:
312.365g/mol
XLogP3:
4.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
9
Exact Mass:
312.136g/mol
Monoisotopic Mass:
312.136g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
374
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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