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80196-16-3 | Phosphonic acid, [(5-methyl-3-isoxazolyl)methyl]-, diethyl ester
CAS No: 80196-16-3 Catalog No: AG008NB9 MDL No:
Product Description
Catalog Number:
AG008NB9
Chemical Name:
Phosphonic acid, [(5-methyl-3-isoxazolyl)methyl]-, diethyl ester
CAS Number:
80196-16-3
Molecular Formula:
C9H16NO4P
Molecular Weight:
233.2014
IUPAC Name:
3-(diethoxyphosphorylmethyl)-5-methyl-1,2-oxazole
InChI:
InChI=1S/C9H16NO4P/c1-4-12-15(11,13-5-2)7-9-6-8(3)14-10-9/h6H,4-5,7H2,1-3H3
InChI Key:
UMWYQDSGGRIMHL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1noc(c1)C)OCC
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.204g/mol
Monoisotopic Mass:
233.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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