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Home > Other Heterocycles > 1335031-53-2
1335031-53-2 | (1S,6Z,8R)-9-azabicyclo[6.2.0]dec-6-en-10-one
CAS No: 1335031-53-2 Catalog No: AG00J0CP MDL No:MFCD20481991
Product Description
Catalog Number:
AG00J0CP
Chemical Name:
(1S,6Z,8R)-9-azabicyclo[6.2.0]dec-6-en-10-one
CAS Number:
1335031-53-2
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD20481991
IUPAC Name:
(1S,6Z,8R)-9-azabicyclo[6.2.0]dec-6-en-10-one
InChI:
InChI=1S/C9H13NO/c11-9-7-5-3-1-2-4-6-8(7)10-9/h4,6-8H,1-3,5H2,(H,10,11)/b6-4-/t7-,8+/m0/s1
InChI Key:
XXGOAOFWGUZOGA-VFYBFDEHSA-N
SMILES:
O=C1N[C@H]2[C@@H]1CCCCC=C2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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