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288089-62-3

288089-62-3 | Oxazole, 4-(1,1-dimethylethyl)-4,5-dihydro-2-phenyl-, (4S)-

CAS No: 288089-62-3 Catalog No: AG002WL3 MDL No:

Product Description

Catalog Number:
AG002WL3
Chemical Name:
Oxazole, 4-(1,1-dimethylethyl)-4,5-dihydro-2-phenyl-, (4S)-
CAS Number:
288089-62-3
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
(4S)-4-tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C13H17NO/c1-13(2,3)11-9-15-12(14-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChI Key:
ZRTJCMABQDWDRU-LLVKDONJSA-N
SMILES:
CC([C@H]1COC(=N1)c1ccccc1)(C)C

Properties

Complexity:
246  
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:
2  
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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