Propanedioic acid, phenyl-, diethyl ester


Chemical Name: Propanedioic acid, phenyl-, diethyl ester
CAS Number: 83-13-6
Product Number: AG004W0D(AGN-PC-0JL77A)
Synonyms:
MDL No:
Molecular Formula: C13H16O4
Molecular Weight: 236.2637

Identification/Properties


Properties
MP:
16 °C
BP:
301°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.491(lit.)
Computed Properties
Molecular Weight:
236.267g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
236.105g/mol
Monoisotopic Mass:
236.105g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
238
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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