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88309-31-3 | Ethanone, 1-(4,5-dihydro-4,4-dimethyl-2-phenyl-5-oxazolyl)-
CAS No: 88309-31-3 Catalog No: AG00493M MDL No:
Product Description
Catalog Number:
AG00493M
Chemical Name:
Ethanone, 1-(4,5-dihydro-4,4-dimethyl-2-phenyl-5-oxazolyl)-
CAS Number:
88309-31-3
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
1-(4,4-dimethyl-2-phenyl-5H-1,3-oxazol-5-yl)ethanone
InChI:
InChI=1S/C13H15NO2/c1-9(15)11-13(2,3)14-12(16-11)10-7-5-4-6-8-10/h4-8,11H,1-3H3
InChI Key:
ANOXHEMMWMZICT-UHFFFAOYSA-N
SMILES:
CC(=O)C1OC(=NC1(C)C)c1ccccc1
Properties
Complexity:
314
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:
1.8
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