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18106-71-3 | Phosphonic acid, P-benzoyl-, dimethyl ester
CAS No: 18106-71-3 Catalog No: AG0022NY MDL No:MFCD00204367
Product Description
Catalog Number:
AG0022NY
Chemical Name:
Phosphonic acid, P-benzoyl-, dimethyl ester
CAS Number:
18106-71-3
Molecular Formula:
C9H11O4P
Molecular Weight:
214.1550
MDL Number:
MFCD00204367
IUPAC Name:
dimethoxyphosphoryl(phenyl)methanone
InChI:
InChI=1S/C9H11O4P/c1-12-14(11,13-2)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
TWNVJLOWMINFMB-UHFFFAOYSA-N
SMILES:
COP(=O)(C(=O)c1ccccc1)OC
NSC Number:
82396
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.157g/mol
Monoisotopic Mass:
214.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition. | Journal of the American Chemical Society 20100120 |
| Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor. | Biochemistry 20090421 |
| Probing the active center of benzaldehyde lyase with substitutions and the pseudosubstrate analogue benzoylphosphonic acid methyl ester. | Biochemistry 20080722 |
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