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142231-26-3 | 2-Propanone, 1-(5-phenyl-3-isoxazolyl)-
CAS No: 142231-26-3 Catalog No: AG001I11 MDL No:
Product Description
Catalog Number:
AG001I11
Chemical Name:
2-Propanone, 1-(5-phenyl-3-isoxazolyl)-
CAS Number:
142231-26-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
1-(5-phenyl-1,2-oxazol-3-yl)propan-2-one
InChI:
InChI=1S/C12H11NO2/c1-9(14)7-11-8-12(15-13-11)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChI Key:
PPEXEHSKHWZMBJ-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1noc(c1)c1ccccc1
Properties
Complexity:
224
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:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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