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Home > Other Heterocycles > 24647-29-8
24647-29-8 | 2-Azabicyclo[2.2.1]heptan-3-one
CAS No: 24647-29-8 Catalog No: AG002OX2 MDL No:MFCD21602419
Product Description
Catalog Number:
AG002OX2
Chemical Name:
2-Azabicyclo[2.2.1]heptan-3-one
CAS Number:
24647-29-8
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD21602419
IUPAC Name:
2-azabicyclo[2.2.1]heptan-3-one
InChI:
InChI=1S/C6H9NO/c8-6-4-1-2-5(3-4)7-6/h4-5H,1-3H2,(H,7,8)
InChI Key:
UIVLZOWDXYXITH-UHFFFAOYSA-N
SMILES:
O=C1NC2CC1CC2
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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