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84920-15-0 | 2,4-Pentanedione, 3-[[2-(acetyloxy)-1-phenyl-3-indolizinyl]methylene]-
CAS No: 84920-15-0 Catalog No: AG004LLD MDL No:
Product Description
Catalog Number:
AG004LLD
Chemical Name:
2,4-Pentanedione, 3-[[2-(acetyloxy)-1-phenyl-3-indolizinyl]methylene]-
CAS Number:
84920-15-0
Molecular Formula:
C22H19NO4
Molecular Weight:
361.3906
IUPAC Name:
[3-(2-acetyl-3-oxobut-1-enyl)-1-phenylindolizin-2-yl] acetate
InChI:
InChI=1S/C22H19NO4/c1-14(24)18(15(2)25)13-20-22(27-16(3)26)21(17-9-5-4-6-10-17)19-11-7-8-12-23(19)20/h4-13H,1-3H3
InChI Key:
HSBSUKYMIFMADY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(c2ccccc2)c2n(c1C=C(C(=O)C)C(=O)C)cccc2
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.131g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.397g/mol
Monoisotopic Mass:
361.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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