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945-59-5 | 3(2H)-Isoxazolone, 2-ethyl-5-phenyl-
CAS No: 945-59-5 Catalog No: AG006A03 MDL No:
Product Description
Catalog Number:
AG006A03
Chemical Name:
3(2H)-Isoxazolone, 2-ethyl-5-phenyl-
CAS Number:
945-59-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
2-ethyl-5-phenyl-1,2-oxazol-3-one
InChI:
InChI=1S/C11H11NO2/c1-2-12-11(13)8-10(14-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
MIZCCCNDLNAJKG-UHFFFAOYSA-N
SMILES:
CCn1oc(cc1=O)c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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