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123872-74-2 | Phosphonic acid, (1-methylethyl)-, bis(4-methylphenyl) ester (9CI)
CAS No: 123872-74-2 Catalog No: AG000L7D MDL No:
Product Description
Catalog Number:
AG000L7D
Chemical Name:
Phosphonic acid, (1-methylethyl)-, bis(4-methylphenyl) ester (9CI)
CAS Number:
123872-74-2
Molecular Formula:
C17H21O3P
Molecular Weight:
304.3206
IUPAC Name:
1-methyl-4-[(4-methylphenoxy)-propan-2-ylphosphoryl]oxybenzene
InChI:
InChI=1S/C17H21O3P/c1-13(2)21(18,19-16-9-5-14(3)6-10-16)20-17-11-7-15(4)8-12-17/h5-13H,1-4H3
InChI Key:
IKZMRVSMVYRWBV-UHFFFAOYSA-N
SMILES:
CC(P(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.326g/mol
Monoisotopic Mass:
304.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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