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119760-29-1 | 1,5-Pentanedione, 3-(4-methylphenyl)-1,2,5-triphenyl-, 1-oxime
CAS No: 119760-29-1 Catalog No: AG000PLF MDL No:
Product Description
Catalog Number:
AG000PLF
Chemical Name:
1,5-Pentanedione, 3-(4-methylphenyl)-1,2,5-triphenyl-, 1-oxime
CAS Number:
119760-29-1
Molecular Formula:
C30H27NO2
Molecular Weight:
433.5409
IUPAC Name:
5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one
InChI:
InChI=1S/C30H27NO2/c1-22-17-19-23(20-18-22)27(21-28(32)24-11-5-2-6-12-24)29(25-13-7-3-8-14-25)30(31-33)26-15-9-4-10-16-26/h2-20,27,29,33H,21H2,1H3
InChI Key:
GEBNHFGYZZTWKO-UHFFFAOYSA-N
SMILES:
ON=C(C(C(c1ccc(cc1)C)CC(=O)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.204g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.551g/mol
Monoisotopic Mass:
433.204g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
6.9
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