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89561-63-7 | Phosphonic acid, [1-(4-methylphenoxy)-1-phenylethyl]-
CAS No: 89561-63-7 Catalog No: AG003Y7V MDL No:
Product Description
Catalog Number:
AG003Y7V
Chemical Name:
Phosphonic acid, [1-(4-methylphenoxy)-1-phenylethyl]-
CAS Number:
89561-63-7
Molecular Formula:
C15H17O4P
Molecular Weight:
292.2668
IUPAC Name:
[1-(4-methylphenoxy)-1-phenylethyl]phosphonic acid
InChI:
InChI=1S/C15H17O4P/c1-12-8-10-14(11-9-12)19-15(2,20(16,17)18)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,16,17,18)
InChI Key:
UHRBGJGWCFYMMJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OC(P(=O)(O)O)(c1ccccc1)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.271g/mol
Monoisotopic Mass:
292.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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