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Home > Other Heterocycles > 5763-45-1
5763-45-1 | 3-azabicyclo[3.2.1]octane-2,4-dione
CAS No: 5763-45-1 Catalog No: AG01B5R2 MDL No:MFCD20728026
Product Description
Catalog Number:
AG01B5R2
Chemical Name:
3-azabicyclo[3.2.1]octane-2,4-dione
CAS Number:
5763-45-1
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD20728026
IUPAC Name:
3-azabicyclo[3.2.1]octane-2,4-dione
InChI:
InChI=1S/C7H9NO2/c9-6-4-1-2-5(3-4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)
InChI Key:
CXCNSNHPXLOUNF-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2CC1CC2
NSC Number:
46028
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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