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19212-42-1 | Ethanone, 1-(5-methyl-3-phenyl-4-isoxazolyl)-
CAS No: 19212-42-1 Catalog No: AG002FO5 MDL No:MFCD00173901
Product Description
Catalog Number:
AG002FO5
Chemical Name:
Ethanone, 1-(5-methyl-3-phenyl-4-isoxazolyl)-
CAS Number:
19212-42-1
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD00173901
IUPAC Name:
1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanone
InChI:
InChI=1S/C12H11NO2/c1-8(14)11-9(2)15-13-12(11)10-6-4-3-5-7-10/h3-7H,1-2H3
InChI Key:
LWPHDEBMXBDBBO-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)onc1c1ccccc1
NSC Number:
255230
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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