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86222-48-2 | 2,4-Pentanedione, 3-(1-oxo-2,3-diphenyl-7(1H)-indolizinylidene)-
CAS No: 86222-48-2 Catalog No: AG004JTQ MDL No:
Product Description
Catalog Number:
AG004JTQ
Chemical Name:
2,4-Pentanedione, 3-(1-oxo-2,3-diphenyl-7(1H)-indolizinylidene)-
CAS Number:
86222-48-2
Molecular Formula:
C25H19NO3
Molecular Weight:
381.4233
IUPAC Name:
3-(1-oxo-2,3-diphenylindolizin-7-ylidene)pentane-2,4-dione
InChI:
InChI=1S/C25H19NO3/c1-16(27)22(17(2)28)20-13-14-26-21(15-20)25(29)23(18-9-5-3-6-10-18)24(26)19-11-7-4-8-12-19/h3-15H,1-2H3
InChI Key:
BHWDKOGAOIABND-UHFFFAOYSA-N
SMILES:
CC(=O)C(=c1ccn2c(c1)C(=O)C(=C2c1ccccc1)c1ccccc1)C(=O)C
Properties
Complexity:
843
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.136g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.431g/mol
Monoisotopic Mass:
381.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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