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Home > Other Heterocycles > 88413-88-1
88413-88-1 | 1-Azabicyclo[4.2.0]octan-8-one, 7,7-dimethyl-
CAS No: 88413-88-1 Catalog No: AG004KND MDL No:
Product Description
Catalog Number:
AG004KND
Chemical Name:
1-Azabicyclo[4.2.0]octan-8-one, 7,7-dimethyl-
CAS Number:
88413-88-1
Molecular Formula:
C9H15NO
Molecular Weight:
153.2215
IUPAC Name:
7,7-dimethyl-1-azabicyclo[4.2.0]octan-8-one
InChI:
InChI=1S/C9H15NO/c1-9(2)7-5-3-4-6-10(7)8(9)11/h7H,3-6H2,1-2H3
InChI Key:
PLCJXVHBVLDRQO-UHFFFAOYSA-N
SMILES:
O=C1N2CCCCC2C1(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.225g/mol
Monoisotopic Mass:
153.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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