Benzeneacetic acid, a-(hydroxymethyl)-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aS)-


Chemical Name: Benzeneacetic acid, a-(hydroxymethyl)-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aS)-
CAS Number: 101-31-5
Product Number: AG0003FJ(AGN-PC-0OQIPL)
Synonyms:
MDL No:
Molecular Formula: C17H23NO3
Molecular Weight: 289.3694

Identification/Properties


Properties
MP:
108.5 °C
BP:
429.804 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
289.375g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
289.168g/mol
Monoisotopic Mass:
289.168g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
353
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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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