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Home > Indoles and Oxindole > 111751-99-6
111751-99-6 | 7(1H)-Indolizinone, 6-[4-(acetyloxy)phenyl]hexahydro-
CAS No: 111751-99-6 Catalog No: AG007S8S MDL No:
Product Description
Catalog Number:
AG007S8S
Chemical Name:
7(1H)-Indolizinone, 6-[4-(acetyloxy)phenyl]hexahydro-
CAS Number:
111751-99-6
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
[4-(7-oxo-2,3,5,6,8,8a-hexahydro-1H-indolizin-6-yl)phenyl] acetate
InChI:
InChI=1S/C16H19NO3/c1-11(18)20-14-6-4-12(5-7-14)15-10-17-8-2-3-13(17)9-16(15)19/h4-7,13,15H,2-3,8-10H2,1H3
InChI Key:
JLFIHZLLNBKBHS-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C1CN2CCCC2CC1=O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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