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Home > Other Heterocycles > 87935-34-0
87935-34-0 | Benzoic acid, 4-(3-oxo-8-azabicyclo[3.2.1]oct-8-yl)-, ethyl ester
CAS No: 87935-34-0 Catalog No: AG004EYZ MDL No:
Product Description
Catalog Number:
AG004EYZ
Chemical Name:
Benzoic acid, 4-(3-oxo-8-azabicyclo[3.2.1]oct-8-yl)-, ethyl ester
CAS Number:
87935-34-0
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
ethyl 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)benzoate
InChI:
InChI=1S/C16H19NO3/c1-2-20-16(19)11-3-5-12(6-4-11)17-13-7-8-14(17)10-15(18)9-13/h3-6,13-14H,2,7-10H2,1H3
InChI Key:
XPZUYJRVTGNBLP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N1C2CCC1CC(=O)C2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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