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88299-54-1 | 1,5-Hexadien-3-one, 1,6-diphenyl-4-(triphenylphosphoranylidene)-
CAS No: 88299-54-1 Catalog No: AG0049BG MDL No:
Product Description
Catalog Number:
AG0049BG
Chemical Name:
1,5-Hexadien-3-one, 1,6-diphenyl-4-(triphenylphosphoranylidene)-
CAS Number:
88299-54-1
Molecular Formula:
C36H29OP
Molecular Weight:
508.5886
IUPAC Name:
1,6-diphenyl-4-(triphenyl-λ5-phosphanylidene)hexa-1,5-dien-3-one
InChI:
InChI=1S/C36H29OP/c37-35(28-26-30-16-6-1-7-17-30)36(29-27-31-18-8-2-9-19-31)38(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-29H
InChI Key:
ZTBUJRSQHMZEKA-UHFFFAOYSA-N
SMILES:
O=C(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C=Cc1ccccc1)C=Cc1ccccc1
Properties
Complexity:
782
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.196g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
508.601g/mol
Monoisotopic Mass:
508.196g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.7
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