Propanedioic acid, methyl phenylmethyl ester


Chemical Name: Propanedioic acid, methyl phenylmethyl ester
CAS Number: 52267-39-7
Product Number: AG003O4D(AGN-PC-0JT3GU)
Synonyms:
MDL No:
Molecular Formula: C11H12O4
Molecular Weight: 208.2106

Identification/Properties


Properties
BP:
333.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.502(lit.)
Computed Properties
Molecular Weight:
208.213g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
208.074g/mol
Monoisotopic Mass:
208.074g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
219
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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