Home Other Building Blocks 6-azatricyclo[3.2.1.0,2,4]octan-7-one

6-azatricyclo[3.2.1.0,2,4]octan-7-one

CAS No.:
1622444-61-4
Catalog Number:
AG01BIXB
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
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Product Description
Catalog Number:
AG01BIXB
Chemical Name:
6-azatricyclo[3.2.1.0,2,4]octan-7-one
CAS Number:
1622444-61-4
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD24498467
IUPAC Name:
6-azatricyclo[3.2.1.02,4]octan-7-one
InChI:
InChI=1S/C7H9NO/c9-7-5-2-6(8-7)4-1-3(4)5/h3-6H,1-2H2,(H,8,9)
InChI Key:
QLLWFAQIJNZQQL-UHFFFAOYSA-N
SMILES:
O=C1NC2CC1C1C2C1
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties