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Home > Indoles and Oxindole > 77413-85-5
77413-85-5 | 3(2H)-Indolizinone, 1,7,8,8a-tetrahydro-8-phenyl-, cis-
CAS No: 77413-85-5 Catalog No: AG0053S9 MDL No:
Product Description
Catalog Number:
AG0053S9
Chemical Name:
3(2H)-Indolizinone, 1,7,8,8a-tetrahydro-8-phenyl-, cis-
CAS Number:
77413-85-5
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
IUPAC Name:
(8S,8aS)-8-phenyl-2,7,8,8a-tetrahydro-1H-indolizin-3-one
InChI:
InChI=1S/C14H15NO/c16-14-9-8-13-12(7-4-10-15(13)14)11-5-2-1-3-6-11/h1-6,10,12-13H,7-9H2/t12-,13-/m0/s1
InChI Key:
HFUOMHYLLJYMBJ-STQMWFEESA-N
SMILES:
O=C1CC[C@@H]2N1C=CC[C@H]2c1ccccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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