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14659-66-6 | 1-Propanone, 1-(4,5-dihydro-3-phenyl-5-isoxazolyl)-
CAS No: 14659-66-6 Catalog No: AG001E69 MDL No:
Product Description
Catalog Number:
AG001E69
Chemical Name:
1-Propanone, 1-(4,5-dihydro-3-phenyl-5-isoxazolyl)-
CAS Number:
14659-66-6
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one
InChI:
InChI=1S/C12H13NO2/c1-2-11(14)12-8-10(13-15-12)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3
InChI Key:
SGBCHKMEJQMRSN-UHFFFAOYSA-N
SMILES:
CCC(=O)C1ON=C(C1)c1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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