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71953-55-4 | 5(4H)-Oxazolone, 4-(1,1-dimethylethyl)-2-phenyl-
CAS No: 71953-55-4 Catalog No: AG005EWC MDL No:
Product Description
Catalog Number:
AG005EWC
Chemical Name:
5(4H)-Oxazolone, 4-(1,1-dimethylethyl)-2-phenyl-
CAS Number:
71953-55-4
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
4-tert-butyl-2-phenyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C13H15NO2/c1-13(2,3)10-12(15)16-11(14-10)9-7-5-4-6-8-9/h4-8,10H,1-3H3
InChI Key:
YOUONDYPRVKDQW-UHFFFAOYSA-N
SMILES:
CC(C1N=C(OC1=O)c1ccccc1)(C)C
Properties
Complexity:
308
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:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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