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41004-02-8 | Phosphonic acid, (4,5-dihydro-5,5-dimethyl-4-oxazolyl)-, diethyl ester
CAS No: 41004-02-8 Catalog No: AG0073KT MDL No:
Product Description
Catalog Number:
AG0073KT
Chemical Name:
Phosphonic acid, (4,5-dihydro-5,5-dimethyl-4-oxazolyl)-, diethyl ester
CAS Number:
41004-02-8
Molecular Formula:
C9H18NO4P
Molecular Weight:
235.2173
IUPAC Name:
4-diethoxyphosphoryl-5,5-dimethyl-4H-1,3-oxazole
InChI:
InChI=1S/C9H18NO4P/c1-5-13-15(11,14-6-2)8-9(3,4)12-7-10-8/h7-8H,5-6H2,1-4H3
InChI Key:
JHFNNRIZCWIQPC-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C1N=COC1(C)C)OCC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.22g/mol
Monoisotopic Mass:
235.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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