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Home > Other Heterocycles > 82450-01-9
82450-01-9 | 3-Azabicyclo[4.2.0]oct-4-en-2-one, 6-methoxy-
CAS No: 82450-01-9 Catalog No: AG0059KB MDL No:
Product Description
Catalog Number:
AG0059KB
Chemical Name:
3-Azabicyclo[4.2.0]oct-4-en-2-one, 6-methoxy-
CAS Number:
82450-01-9
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
6-methoxy-3-azabicyclo[4.2.0]oct-4-en-2-one
InChI:
InChI=1S/C8H11NO2/c1-11-8-3-2-6(8)7(10)9-5-4-8/h4-6H,2-3H2,1H3,(H,9,10)
InChI Key:
NYIQMFLTJVPFFP-UHFFFAOYSA-N
SMILES:
COC12C=CNC(=O)C2CC1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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