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89102-79-4 | Phosphonic acid, [(2-phenyl-5-oxazolyl)methyl]-, diethyl ester
CAS No: 89102-79-4 Catalog No: AG003YJJ MDL No:
Product Description
Catalog Number:
AG003YJJ
Chemical Name:
Phosphonic acid, [(2-phenyl-5-oxazolyl)methyl]-, diethyl ester
CAS Number:
89102-79-4
Molecular Formula:
C14H18NO4P
Molecular Weight:
295.2708
IUPAC Name:
5-(diethoxyphosphorylmethyl)-2-phenyl-1,3-oxazole
InChI:
InChI=1S/C14H18NO4P/c1-3-17-20(16,18-4-2)11-13-10-15-14(19-13)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChI Key:
CNAWNMRETZLNQE-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1cnc(o1)c1ccccc1)OCC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.097g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.275g/mol
Monoisotopic Mass:
295.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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