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77987-98-5 | Ethanone, 1-[3-(2,4,6-trimethylphenyl)-5-isoxazolyl]-
CAS No: 77987-98-5 Catalog No: AG005DR8 MDL No:
Product Description
Catalog Number:
AG005DR8
Chemical Name:
Ethanone, 1-[3-(2,4,6-trimethylphenyl)-5-isoxazolyl]-
CAS Number:
77987-98-5
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]ethanone
InChI:
InChI=1S/C14H15NO2/c1-8-5-9(2)14(10(3)6-8)12-7-13(11(4)16)17-15-12/h5-7H,1-4H3
InChI Key:
WMUUSUUWJKONBT-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)c1noc(c1)C(=O)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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