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157169-71-6 | 4-Oxazoleethanol, 5-methyl-2-(4-methylphenyl)-
CAS No: 157169-71-6 Catalog No: AG001P99 MDL No:
Product Description
Catalog Number:
AG001P99
Chemical Name:
4-Oxazoleethanol, 5-methyl-2-(4-methylphenyl)-
CAS Number:
157169-71-6
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanol
InChI:
InChI=1S/C13H15NO2/c1-9-3-5-11(6-4-9)13-14-12(7-8-15)10(2)16-13/h3-6,15H,7-8H2,1-2H3
InChI Key:
WTABRJGSWMZKOR-UHFFFAOYSA-N
SMILES:
OCCc1nc(oc1C)c1ccc(cc1)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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