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89150-28-7 | 5-Oxazolepropanoic acid, 2-methyl-4-[4-(methylthio)phenyl]-
CAS No: 89150-28-7 Catalog No: AG003XHH MDL No:
Product Description
Catalog Number:
AG003XHH
Chemical Name:
5-Oxazolepropanoic acid, 2-methyl-4-[4-(methylthio)phenyl]-
CAS Number:
89150-28-7
Molecular Formula:
C14H15NO3S
Molecular Weight:
277.3388
IUPAC Name:
3-[2-methyl-4-(4-methylsulfanylphenyl)-1,3-oxazol-5-yl]propanoic acid
InChI:
InChI=1S/C14H15NO3S/c1-9-15-14(12(18-9)7-8-13(16)17)10-3-5-11(19-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,17)
InChI Key:
AFROAEDZUOVNQN-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1nc(oc1CCC(=O)O)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.338g/mol
Monoisotopic Mass:
277.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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