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88299-55-2 | 3-Penten-1-one, 4-methyl-1-phenyl-2-(triphenylphosphoranylidene)-
CAS No: 88299-55-2 Catalog No: AG0049BF MDL No:
Product Description
Catalog Number:
AG0049BF
Chemical Name:
3-Penten-1-one, 4-methyl-1-phenyl-2-(triphenylphosphoranylidene)-
CAS Number:
88299-55-2
Molecular Formula:
C30H27OP
Molecular Weight:
434.5085
IUPAC Name:
4-methyl-1-phenyl-2-(triphenyl-λ5-phosphanylidene)pent-3-en-1-one
InChI:
InChI=1S/C30H27OP/c1-24(2)23-29(30(31)25-15-7-3-8-16-25)32(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-23H,1-2H3
InChI Key:
LQOVXSCVRYPDRX-UHFFFAOYSA-N
SMILES:
CC(=CC(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1)C
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.18g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.519g/mol
Monoisotopic Mass:
434.18g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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