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168034-01-3

168034-01-3 | Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (4R)-

CAS No: 168034-01-3 Catalog No: AG001XQW MDL No:

Product Description

Catalog Number:
AG001XQW
Chemical Name:
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (4R)-
CAS Number:
168034-01-3
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C13H17NO/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChI Key:
GQQWSKVVWMLALT-NSHDSACASA-N
SMILES:
CC(C1=N[C@@H](CO1)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:
2.9  

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