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89187-60-0 | Phosphonic acid, (2-methyl-1-oxo-2-phenylpropyl)-, dimethyl ester
CAS No: 89187-60-0 Catalog No: AG003VNH MDL No:
Product Description
Catalog Number:
AG003VNH
Chemical Name:
Phosphonic acid, (2-methyl-1-oxo-2-phenylpropyl)-, dimethyl ester
CAS Number:
89187-60-0
Molecular Formula:
C12H17O4P
Molecular Weight:
256.2347
IUPAC Name:
1-dimethoxyphosphoryl-2-methyl-2-phenylpropan-1-one
InChI:
InChI=1S/C12H17O4P/c1-12(2,10-8-6-5-7-9-10)11(13)17(14,15-3)16-4/h5-9H,1-4H3
InChI Key:
VHJJZDXHLWXXPC-UHFFFAOYSA-N
SMILES:
COP(=O)(C(=O)C(c1ccccc1)(C)C)OC
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.238g/mol
Monoisotopic Mass:
256.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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