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155049-17-5 | Oxazole, 4,5-dihydro-4-(1-methylethyl)-2-phenyl-, (4S)-
CAS No: 155049-17-5 Catalog No: AG001NKY MDL No:
Product Description
Catalog Number:
AG001NKY
Chemical Name:
Oxazole, 4,5-dihydro-4-(1-methylethyl)-2-phenyl-, (4S)-
CAS Number:
155049-17-5
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
(4S)-2-phenyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C12H15NO/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChI Key:
QPADYYUBHQRRIR-LLVKDONJSA-N
SMILES:
CC([C@H]1COC(=N1)c1ccccc1)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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