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157169-68-1 | 4-Oxazoleacetic acid, 5-methyl-2-(4-methylphenyl)-, methyl ester
CAS No: 157169-68-1 Catalog No: AG001P9A MDL No:
Product Description
Catalog Number:
AG001P9A
Chemical Name:
4-Oxazoleacetic acid, 5-methyl-2-(4-methylphenyl)-, methyl ester
CAS Number:
157169-68-1
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
methyl 2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetate
InChI:
InChI=1S/C14H15NO3/c1-9-4-6-11(7-5-9)14-15-12(10(2)18-14)8-13(16)17-3/h4-7H,8H2,1-3H3
InChI Key:
FQPFECCIWLWKER-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1nc(oc1C)c1ccc(cc1)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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