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149990-48-7 | Phosphonium, ethyltris(4-methylphenyl)-, acetate (1:1)
CAS No: 149990-48-7 Catalog No: AG001M77 MDL No:
Product Description
Catalog Number:
AG001M77
Chemical Name:
Phosphonium, ethyltris(4-methylphenyl)-, acetate (1:1)
CAS Number:
149990-48-7
Molecular Formula:
C25H29O2P
Molecular Weight:
392.4703
IUPAC Name:
ethyl-tris(4-methylphenyl)phosphanium;acetate
InChI:
InChI=1S/C23H26P.C2H4O2/c1-5-24(21-12-6-18(2)7-13-21,22-14-8-19(3)9-15-22)23-16-10-20(4)11-17-23;1-2(3)4/h6-17H,5H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChI Key:
TXVGXTHMPVOUBI-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C.CC[P+](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.191g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.479g/mol
Monoisotopic Mass:
392.191g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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