Benzoicacid, 4-(1,1-dimethylethyl)-2-ethoxy-


Chemical Name: Benzoicacid, 4-(1,1-dimethylethyl)-2-ethoxy-
CAS Number: 796875-53-1
Product Number: AG003KAB(AGN-PC-051LUE)
Synonyms:
MDL No: MFCD07366640
Molecular Formula: C13H18O3
Molecular Weight: 222.2802

Identification/Properties


Properties
BP:
329.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
222.284g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
222.126g/mol
Monoisotopic Mass:
222.126g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
242
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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