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850991-53-6 | ETHYL 6-OXO-3-AZABICYCLO[3.2.1]OCTANE-3-CARBOXYLATE
CAS No: 850991-53-6 Catalog No: AG004XK8 MDL No:MFCD22416303
Product Description
Catalog Number:
AG004XK8
Chemical Name:
ETHYL 6-OXO-3-AZABICYCLO[3.2.1]OCTANE-3-CARBOXYLATE
CAS Number:
850991-53-6
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD22416303
IUPAC Name:
ethyl 6-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
InChI:
InChI=1S/C10H15NO3/c1-2-14-10(13)11-5-7-3-8(6-11)9(12)4-7/h7-8H,2-6H2,1H3
InChI Key:
YMCVBSNHYFZDOU-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CC2CC(C1)C(=O)C2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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