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91998-28-6 | Phosphonic acid, (2,4,6-trimethylbenzoyl)-, dimethyl ester
CAS No: 91998-28-6 Catalog No: AG006GC6 MDL No:
Product Description
Catalog Number:
AG006GC6
Chemical Name:
Phosphonic acid, (2,4,6-trimethylbenzoyl)-, dimethyl ester
CAS Number:
91998-28-6
Molecular Formula:
C12H17O4P
Molecular Weight:
256.2347
IUPAC Name:
dimethoxyphosphoryl-(2,4,6-trimethylphenyl)methanone
InChI:
InChI=1S/C12H17O4P/c1-8-6-9(2)11(10(3)7-8)12(13)17(14,15-4)16-5/h6-7H,1-5H3
InChI Key:
DNRABMKJJAJKAL-UHFFFAOYSA-N
SMILES:
COP(=O)(C(=O)c1c(C)cc(cc1C)C)OC
Properties
Complexity:
309
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:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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