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130753-13-8 | 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-oxo-, phenylmethyl ester
CAS No: 130753-13-8 Catalog No: AG000UWL MDL No:MFCD14279161
Product Description
Catalog Number:
AG000UWL
Chemical Name:
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-oxo-, phenylmethyl ester
CAS Number:
130753-13-8
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
MDL Number:
MFCD14279161
IUPAC Name:
benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C15H17NO3/c17-14-8-12-6-7-13(9-14)16(12)15(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChI Key:
RMIQGRJJCNFRRU-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC(C1)N2C(=O)OCc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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