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Home > Other Heterocycles > 731771-55-4
731771-55-4 | 8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CAS No: 731771-55-4 Catalog No: AG01C4FX MDL No:
Product Description
Catalog Number:
AG01C4FX
Chemical Name:
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CAS Number:
731771-55-4
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
InChI:
InChI=1S/C13H14N2O2/c16-12-10-6-7-11(13(17)14-12)15(10)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,16,17)
InChI Key:
ZGVXGJXYJSNHAQ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2N(C1CC2)Cc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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