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677326-76-0 | 3-(5-Methyl-3-phenyl-isoxazol-4-yl)-3-oxo-propionic acid ethyl ester
CAS No: 677326-76-0 Catalog No: AG01EWVT MDL No:
Product Description
Catalog Number:
AG01EWVT
Chemical Name:
3-(5-Methyl-3-phenyl-isoxazol-4-yl)-3-oxo-propionic acid ethyl ester
CAS Number:
677326-76-0
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
ethyl 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-oxopropanoate
InChI:
InChI=1S/C15H15NO4/c1-3-19-13(18)9-12(17)14-10(2)20-16-15(14)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChI Key:
QTRWOECTSHVHTF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1c(C)onc1c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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