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87517-46-2 | Hexanoic acid, 6-(dimethoxyphosphinyl)-5-oxo-, 1,1-dimethylethyl ester
CAS No: 87517-46-2 Catalog No: AG004FBD MDL No:
Product Description
Catalog Number:
AG004FBD
Chemical Name:
Hexanoic acid, 6-(dimethoxyphosphinyl)-5-oxo-, 1,1-dimethylethyl ester
CAS Number:
87517-46-2
Molecular Formula:
C12H23O6P
Molecular Weight:
294.2812
IUPAC Name:
tert-butyl 6-dimethoxyphosphoryl-5-oxohexanoate
InChI:
InChI=1S/C12H23O6P/c1-12(2,3)18-11(14)8-6-7-10(13)9-19(15,16-4)17-5/h6-9H2,1-5H3
InChI Key:
GHXIPHWIWPCKQJ-UHFFFAOYSA-N
SMILES:
COP(=O)(CC(=O)CCCC(=O)OC(C)(C)C)OC
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.284g/mol
Monoisotopic Mass:
294.123g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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