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Home > Other Heterocycles > 88629-11-2
88629-11-2 | 3-Azabicyclo[4.2.0]octan-2-one, 6-methoxy-3-methyl-
CAS No: 88629-11-2 Catalog No: AG004A3H MDL No:
Product Description
Catalog Number:
AG004A3H
Chemical Name:
3-Azabicyclo[4.2.0]octan-2-one, 6-methoxy-3-methyl-
CAS Number:
88629-11-2
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
6-methoxy-3-methyl-3-azabicyclo[4.2.0]octan-2-one
InChI:
InChI=1S/C9H15NO2/c1-10-6-5-9(12-2)4-3-7(9)8(10)11/h7H,3-6H2,1-2H3
InChI Key:
PTZUZBPADICHIH-UHFFFAOYSA-N
SMILES:
COC12CCC2C(=O)N(CC1)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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