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122682-77-3 | Ethanone, 1-(3,4,5-trimethoxyphenyl)-2-(triphenylphosphoranylidene)-
CAS No: 122682-77-3 Catalog No: AG0017ND MDL No:
Product Description
Catalog Number:
AG0017ND
Chemical Name:
Ethanone, 1-(3,4,5-trimethoxyphenyl)-2-(triphenylphosphoranylidene)-
CAS Number:
122682-77-3
Molecular Formula:
C29H27O4P
Molecular Weight:
470.4960
IUPAC Name:
1-(3,4,5-trimethoxyphenyl)-2-(triphenyl-λ5-phosphanylidene)ethanone
InChI:
InChI=1S/C29H27O4P/c1-31-27-19-22(20-28(32-2)29(27)33-3)26(30)21-34(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-21H,1-3H3
InChI Key:
COVPRWBEAKDPKT-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.165g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.505g/mol
Monoisotopic Mass:
470.165g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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