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Home > Other Heterocycles > 39155-95-8
39155-95-8 | 6-Azabicyclo[3.2.0]heptan-7-one, (1S,5R)-
CAS No: 39155-95-8 Catalog No: AG00765X MDL No:MFCD18651689
Product Description
Catalog Number:
AG00765X
Chemical Name:
6-Azabicyclo[3.2.0]heptan-7-one, (1S,5R)-
CAS Number:
39155-95-8
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD18651689
IUPAC Name:
(1S,5R)-6-azabicyclo[3.2.0]heptan-7-one
InChI:
InChI=1S/C6H9NO/c8-6-4-2-1-3-5(4)7-6/h4-5H,1-3H2,(H,7,8)/t4-,5+/m0/s1
InChI Key:
AXDBIGNYXNSBHV-CRCLSJGQSA-N
SMILES:
O=C1N[C@H]2[C@@H]1CCC2
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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