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859-65-4 | 1-Phenyl-2-(triphenylphosphoranylidene);ethanone
CAS No: 859-65-4 Catalog No: AG003F69 MDL No:MFCD00014088
Product Description
Catalog Number:
AG003F69
Chemical Name:
1-Phenyl-2-(triphenylphosphoranylidene);ethanone
CAS Number:
859-65-4
Molecular Formula:
C26H21OP
Molecular Weight:
380.4181
MDL Number:
MFCD00014088
IUPAC Name:
1-phenyl-2-(triphenyl-λ5-phosphanylidene)ethanone
InChI:
InChI=1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H
InChI Key:
MZRSAJZDYIISJW-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
EC Number:
212-727-2
NSC Number:
167167
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.133g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.427g/mol
Monoisotopic Mass:
380.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| The 2:1 adducts of (benzoylmethylene)triphenylphosphorane with fumaric and terephthalic acids. | Acta crystallographica. Section C, Crystal structure communications 20041101 |
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