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


Chemical Name: Benzeneacetic acid, a-(hydroxymethyl)-(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
CAS Number: 51-55-8
Product Number: AG003NXQ(AGN-PC-0SASF5)
Synonyms:
MDL No:
Molecular Formula: C17H23NO3
Molecular Weight: 289.3694

Identification/Properties


Properties
MP:
115-118 °C
BP:
431.53°C (rough estimate)
Storage:
-10 ℃;
Form:
Solid
Stability:
Light Sensitive
Refractive Index:
1.5200 (estimate)
Solubility:
H2O: 2 mg/mL
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:
2
Undefined Atom Stereocenter Count:
1
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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