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Home > Other Heterocycles > 285560-99-8
285560-99-8 | (1S,6R)-7-azabicyclo[4.2.0]oct-4-en-8-one
CAS No: 285560-99-8 Catalog No: AG00J0CO MDL No:MFCD20481990
Product Description
Catalog Number:
AG00J0CO
Chemical Name:
(1S,6R)-7-azabicyclo[4.2.0]oct-4-en-8-one
CAS Number:
285560-99-8
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD20481990
IUPAC Name:
(1S,6R)-7-azabicyclo[4.2.0]oct-4-en-8-one
InChI:
InChI=1S/C7H9NO/c9-7-5-3-1-2-4-6(5)8-7/h2,4-6H,1,3H2,(H,8,9)/t5-,6+/m0/s1
InChI Key:
ZICVDPIJTAJVJA-NTSWFWBYSA-N
SMILES:
O=C1N[C@H]2[C@@H]1CCC=C2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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