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158011-97-3 | Phosphinic acid, phenyl(2,4,6-trimethylbenzoyl)-, 4-methoxyphenyl ester (9CI)
CAS No: 158011-97-3 Catalog No: AG001PWP MDL No:
Product Description
Catalog Number:
AG001PWP
Chemical Name:
Phosphinic acid, phenyl(2,4,6-trimethylbenzoyl)-, 4-methoxyphenyl ester (9CI)
CAS Number:
158011-97-3
Molecular Formula:
C23H23O4P
Molecular Weight:
394.4001
IUPAC Name:
[(4-methoxyphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
InChI:
InChI=1S/C23H23O4P/c1-16-14-17(2)22(18(3)15-16)23(24)28(25,21-8-6-5-7-9-21)27-20-12-10-19(26-4)11-13-20/h5-15H,1-4H3
InChI Key:
HOFYLHHAJYYNMJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OP(=O)(C(=O)c1c(C)cc(cc1C)C)c1ccccc1
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.133g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.407g/mol
Monoisotopic Mass:
394.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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