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189625-07-8 | Phosphonic acid, P-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-, dimethyl ester
CAS No: 189625-07-8 Catalog No: AG002DTK MDL No:
Product Description
Catalog Number:
AG002DTK
Chemical Name:
Phosphonic acid, P-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-, dimethyl ester
CAS Number:
189625-07-8
Molecular Formula:
C12H17O6P
Molecular Weight:
288.2335
IUPAC Name:
1-(2,5-dimethoxyphenyl)-2-dimethoxyphosphorylethanone
InChI:
InChI=1S/C12H17O6P/c1-15-9-5-6-12(16-2)10(7-9)11(13)8-19(14,17-3)18-4/h5-7H,8H2,1-4H3
InChI Key:
IWJSGKHIYZEKPM-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)CP(=O)(OC)OC)OC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.076g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.236g/mol
Monoisotopic Mass:
288.076g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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