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Home > Other Heterocycles > 863408-70-2
863408-70-2 | 8-benzyl-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carbonitrile
CAS No: 863408-70-2 Catalog No: AG01C2P5 MDL No:MFCD30180341
Product Description
Catalog Number:
AG01C2P5
Chemical Name:
8-benzyl-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carbonitrile
CAS Number:
863408-70-2
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
MDL Number:
MFCD30180341
IUPAC Name:
8-benzyl-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carbonitrile
InChI:
InChI=1S/C15H14N2O/c16-9-12-8-14-15(18)7-6-13(12)17(14)10-11-4-2-1-3-5-11/h1-7,12-14H,8,10H2
InChI Key:
GAVDNAIQJKWSSI-UHFFFAOYSA-N
SMILES:
N#CC1CC2N(C1C=CC2=O)Cc1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.29g/mol
Monoisotopic Mass:
238.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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