Propanedioic acid, 1,1-dimethylethyl phenylmethyl ester


Chemical Name: Propanedioic acid, 1,1-dimethylethyl phenylmethyl ester
CAS Number: 72594-86-6
Product Number: AG003O4N(AGN-PC-0KK80O)
Synonyms:
MDL No: MFCD01075175
Molecular Formula: C14H18O4
Molecular Weight: 250.2903

Identification/Properties


Properties
BP:
312.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Refractive Index:
1.4860
Computed Properties
Molecular Weight:
250.294g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
250.121g/mol
Monoisotopic Mass:
250.121g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
285
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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