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13858-95-2 | Ethanone, 1-(3-phenyl-4-isoxazolyl)-
CAS No: 13858-95-2 Catalog No: AG0018T5 MDL No:
Product Description
Catalog Number:
AG0018T5
Chemical Name:
Ethanone, 1-(3-phenyl-4-isoxazolyl)-
CAS Number:
13858-95-2
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
1-(3-phenyl-1,2-oxazol-4-yl)ethanone
InChI:
InChI=1S/C11H9NO2/c1-8(13)10-7-14-12-11(10)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
MIGXFRJDFMHZTL-UHFFFAOYSA-N
SMILES:
CC(=O)c1conc1c1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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