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141957-50-8 | Ethanone, 1-(2,5-dimethoxyphenyl)-2-(triphenylphosphoranylidene)-
CAS No: 141957-50-8 Catalog No: AG001HGM MDL No:
Product Description
Catalog Number:
AG001HGM
Chemical Name:
Ethanone, 1-(2,5-dimethoxyphenyl)-2-(triphenylphosphoranylidene)-
CAS Number:
141957-50-8
Molecular Formula:
C28H25O3P
Molecular Weight:
440.4701
IUPAC Name:
1-(2,5-dimethoxyphenyl)-2-(triphenyl-λ5-phosphanylidene)ethanone
InChI:
InChI=1S/C28H25O3P/c1-30-22-18-19-28(31-2)26(20-22)27(29)21-32(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-21H,1-2H3
InChI Key:
PEHATOZGMNIENO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)OC
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.154g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.479g/mol
Monoisotopic Mass:
440.154g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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