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Dimethyl Phenylphosphonate

CAT: 0024-sc-487966Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-487966Size:25 mL
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CAS Number
2240-41-7

Chemical Information

Phosphonic acid, phenyl-, dimethyl ester
CAS Number2240-41-7
PubChem CID75234
IUPAC Namedimethoxyphosphorylbenzene
Molecular FormulaC8H11O3P
Molecular Weight186.14
XLogP0.9
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
COP(=O)(C1=CC=CC=C1)OC
InChI
InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
OXDOANYFRLHSML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphonic acid, phenyl-, dimethyl ester
CAS: 2240-41-7
CID: 75234
Formula: C8H11O3P
MW: 186.14
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight186.14
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass186.04458121
Monoisotopic Mass186.04458121
Topological Polar Surface Area35.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes