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676348-61-1 | 3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid methyl ester
CAS No: 676348-61-1 Catalog No: AG01EWVK MDL No:
Product Description
Catalog Number:
AG01EWVK
Chemical Name:
3-(5-Methyl-3-phenylisoxazol-4-yl)-3-oxo-propionic acid methyl ester
CAS Number:
676348-61-1
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
IUPAC Name:
methyl 3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-oxopropanoate
InChI:
InChI=1S/C14H13NO4/c1-9-13(11(16)8-12(17)18-2)14(15-19-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChI Key:
RLKGHGSKWFVPBW-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1c(C)onc1c1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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