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2240-41-7 | Dimethyl phenylphosphonate
CAS No: 2240-41-7 Catalog No: AG003TPX MDL No:MFCD00059292
Product Description
Catalog Number:
AG003TPX
Chemical Name:
Dimethyl phenylphosphonate
CAS Number:
2240-41-7
Molecular Formula:
C8H11O3P
Molecular Weight:
186.1449
MDL Number:
MFCD00059292
IUPAC Name:
dimethoxyphosphorylbenzene
InChI:
InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
OXDOANYFRLHSML-UHFFFAOYSA-N
SMILES:
COP(=O)(c1ccccc1)OC
NSC Number:
62258
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.147g/mol
Monoisotopic Mass:
186.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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