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116087-97-9 | Acetic acid, 2-(dimethoxyphosphinyl)-2-(phenylmethoxy)-, methyl ester
CAS No: 116087-97-9 Catalog No: AG000BLN MDL No:
Product Description
Catalog Number:
AG000BLN
Chemical Name:
Acetic acid, 2-(dimethoxyphosphinyl)-2-(phenylmethoxy)-, methyl ester
CAS Number:
116087-97-9
Molecular Formula:
C12H17O6P
Molecular Weight:
288.2335
IUPAC Name:
methyl 2-dimethoxyphosphoryl-2-phenylmethoxyacetate
InChI:
InChI=1S/C12H17O6P/c1-15-11(13)12(19(14,16-2)17-3)18-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChI Key:
ZLTGVXARLGNBRW-UHFFFAOYSA-N
SMILES:
COC(=O)C(P(=O)(OC)OC)OCc1ccccc1
Properties
Complexity:
318
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:
8
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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