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156777-04-7 | Isoxazole, 5-methyl-3-(4-methylphenyl)-
CAS No: 156777-04-7 Catalog No: AG001OZ4 MDL No:
Product Description
Catalog Number:
AG001OZ4
Chemical Name:
Isoxazole, 5-methyl-3-(4-methylphenyl)-
CAS Number:
156777-04-7
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
5-methyl-3-(4-methylphenyl)-1,2-oxazole
InChI:
InChI=1S/C11H11NO/c1-8-3-5-10(6-4-8)11-7-9(2)13-12-11/h3-7H,1-2H3
InChI Key:
QBMKCADJPSHACR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(c1)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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