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143211-40-9 | Phosphonic acid, [(5-acetyl-3-isoxazolyl)methyl]-, diethyl ester
CAS No: 143211-40-9 Catalog No: AG007KCP MDL No:
Product Description
Catalog Number:
AG007KCP
Chemical Name:
Phosphonic acid, [(5-acetyl-3-isoxazolyl)methyl]-, diethyl ester
CAS Number:
143211-40-9
Molecular Formula:
C10H16NO5P
Molecular Weight:
261.2115
IUPAC Name:
1-[3-(diethoxyphosphorylmethyl)-1,2-oxazol-5-yl]ethanone
InChI:
InChI=1S/C10H16NO5P/c1-4-14-17(13,15-5-2)7-9-6-10(8(3)12)16-11-9/h6H,4-5,7H2,1-3H3
InChI Key:
QEUJWHPTZVEHPF-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1noc(c1)C(=O)C)OCC
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.214g/mol
Monoisotopic Mass:
261.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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