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128643-64-1 | Methanone, [(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]phenyl-
CAS No: 128643-64-1 Catalog No: AG000Y9U MDL No:
Product Description
Catalog Number:
AG000Y9U
Chemical Name:
Methanone, [(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]phenyl-
CAS Number:
128643-64-1
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
phenyl-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methanone
InChI:
InChI=1S/C13H15NO2/c1-9(2)11-8-16-13(14-11)12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChI Key:
ZIVJAWSVBAWZDC-UHFFFAOYSA-N
SMILES:
CC([C@H]1COC(=N1)C(=O)c1ccccc1)C
Properties
Complexity:
290
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:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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