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128507-95-9 | 2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 6-oxo-, phenylmethyl ester
CAS No: 128507-95-9 Catalog No: AG000Y5F MDL No:
Product Description
Catalog Number:
AG000Y5F
Chemical Name:
2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 6-oxo-, phenylmethyl ester
CAS Number:
128507-95-9
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
benzyl 6-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
InChI:
InChI=1S/C15H17NO3/c17-14-8-12-6-7-13(14)16(9-12)15(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChI Key:
MTJSGAQOVNOGQG-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC1N(C2)C(=O)OCc1ccccc1
Properties
Complexity:
362
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:
2
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