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167693-61-0 | Oxazole, 4,5-dihydro-4-(2-methylpropyl)-2-phenyl-, (4S)-
CAS No: 167693-61-0 Catalog No: AG001XJB MDL No:
Product Description
Catalog Number:
AG001XJB
Chemical Name:
Oxazole, 4,5-dihydro-4-(2-methylpropyl)-2-phenyl-, (4S)-
CAS Number:
167693-61-0
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
(4S)-4-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C13H17NO/c1-10(2)8-12-9-15-13(14-12)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1
InChI Key:
BBXKTHJBMAKNFZ-LBPRGKRZSA-N
SMILES:
CC(C[C@H]1COC(=N1)c1ccccc1)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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