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90656-90-9 | 5(4H)-Oxazolone, 4-butyl-2-phenyl-
CAS No: 90656-90-9 Catalog No: AG006NVC MDL No:
Product Description
Catalog Number:
AG006NVC
Chemical Name:
5(4H)-Oxazolone, 4-butyl-2-phenyl-
CAS Number:
90656-90-9
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
4-butyl-2-phenyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C13H15NO2/c1-2-3-9-11-13(15)16-12(14-11)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChI Key:
NFZJMYJTJRKBGU-UHFFFAOYSA-N
SMILES:
CCCCC1N=C(OC1=O)c1ccccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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