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89150-27-6 | 5-Oxazolepropanoic acid, 2-methyl-4-[4-(methylthio)phenyl]-, ethyl ester
CAS No: 89150-27-6 Catalog No: AG003WSR MDL No:
Product Description
Catalog Number:
AG003WSR
Chemical Name:
5-Oxazolepropanoic acid, 2-methyl-4-[4-(methylthio)phenyl]-, ethyl ester
CAS Number:
89150-27-6
Molecular Formula:
C16H19NO3S
Molecular Weight:
305.3920
IUPAC Name:
ethyl 3-[2-methyl-4-(4-methylsulfanylphenyl)-1,3-oxazol-5-yl]propanoate
InChI:
InChI=1S/C16H19NO3S/c1-4-19-15(18)10-9-14-16(17-11(2)20-14)12-5-7-13(21-3)8-6-12/h5-8H,4,9-10H2,1-3H3
InChI Key:
PPRQCNUSIQBHJR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1oc(nc1c1ccc(cc1)SC)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.392g/mol
Monoisotopic Mass:
305.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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