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Home > Other Heterocycles > 821306-63-2
821306-63-2 | 3-Azabicyclo[3.2.1]octane-2,7-dione, 1-ethyl-3-(1-oxo-3-butenyl)-
CAS No: 821306-63-2 Catalog No: AG004W6C MDL No:
Product Description
Catalog Number:
AG004W6C
Chemical Name:
3-Azabicyclo[3.2.1]octane-2,7-dione, 1-ethyl-3-(1-oxo-3-butenyl)-
CAS Number:
821306-63-2
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
3-but-3-enoyl-1-ethyl-3-azabicyclo[3.2.1]octane-2,7-dione
InChI:
InChI=1S/C13H17NO3/c1-3-5-11(16)14-8-9-6-10(15)13(4-2,7-9)12(14)17/h3,9H,1,4-8H2,2H3
InChI Key:
HXOJYIBTCWRSAS-UHFFFAOYSA-N
SMILES:
C=CCC(=O)N1CC2CC(=O)C(C1=O)(C2)CC
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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