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138611-37-7 | Phosphonic acid, [2-oxo-1-(4-oxobutoxy)propyl]-, diethyl ester (9CI)
CAS No: 138611-37-7 Catalog No: AG0018UL MDL No:
Product Description
Catalog Number:
AG0018UL
Chemical Name:
Phosphonic acid, [2-oxo-1-(4-oxobutoxy)propyl]-, diethyl ester (9CI)
CAS Number:
138611-37-7
Molecular Formula:
C11H21O6P
Molecular Weight:
280.2546
IUPAC Name:
4-(1-diethoxyphosphoryl-2-oxopropoxy)butanal
InChI:
InChI=1S/C11H21O6P/c1-4-16-18(14,17-5-2)11(10(3)13)15-9-7-6-8-12/h8,11H,4-7,9H2,1-3H3
InChI Key:
FJXMZXZQPLKLTG-UHFFFAOYSA-N
SMILES:
O=CCCCOC(P(=O)(OCC)OCC)C(=O)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.257g/mol
Monoisotopic Mass:
280.108g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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