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70240-31-2 | Phosphonic acid, methyl-, methyl1-(2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)propyl ester
CAS No: 70240-31-2 Catalog No: AG005KG8 MDL No:
Product Description
Catalog Number:
AG005KG8
Chemical Name:
Phosphonic acid, methyl-, methyl1-(2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)propyl ester
CAS Number:
70240-31-2
Molecular Formula:
C9H19O6P2-
Molecular Weight:
285.1911
IUPAC Name:
methyl-[1-(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)butoxy]phosphinate
InChI:
InChI=1S/C9H20O6P2/c1-4-5-9(15-16(2,10)11)8-6-13-17(3,12)14-7-8/h8-9H,4-7H2,1-3H3,(H,10,11)/p-1
InChI Key:
JLWYSQRLYAOGLD-UHFFFAOYSA-M
SMILES:
CCCC(C1COP(=O)(OC1)C)OP(=O)(C)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.066g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.193g/mol
Monoisotopic Mass:
285.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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