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1159825-53-2 | 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-cyano-, phenylmethyl ester
CAS No: 1159825-53-2 Catalog No: AG000HBM MDL No:
Product Description
Catalog Number:
AG000HBM
Chemical Name:
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-cyano-, phenylmethyl ester
CAS Number:
1159825-53-2
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
IUPAC Name:
benzyl 3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C16H18N2O2/c17-10-13-8-14-6-7-15(9-13)18(14)16(19)20-11-12-4-2-1-3-5-12/h1-5,13-15H,6-9,11H2
InChI Key:
ZAGQLJCLLMBJEN-UHFFFAOYSA-N
SMILES:
N#CC1CC2CCC(C1)N2C(=O)OCc1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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