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Home > Other Heterocycles > 874292-66-7
874292-66-7 | (1S,6S)-4,5-benzo-7-azabicyclo[4.2.0]octan-8-one
CAS No: 874292-66-7 Catalog No: AG004MGR MDL No:
Product Description
Catalog Number:
AG004MGR
Chemical Name:
(1S,6S)-4,5-benzo-7-azabicyclo[4.2.0]octan-8-one
CAS Number:
874292-66-7
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
(2aS,8bS)-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
InChI:
InChI=1S/C11H11NO/c13-11-9-6-5-7-3-1-2-4-8(7)10(9)12-11/h1-4,9-10H,5-6H2,(H,12,13)/t9-,10+/m0/s1
InChI Key:
RVCIXYMGIRZTFA-VHSXEESVSA-N
SMILES:
O=C1N[C@H]2[C@@H]1CCc1c2cccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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