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852524-67-5 | Oxazole, 2,4-bis(1,1-dimethylethyl)-4,5-dihydro-, (4S)-
CAS No: 852524-67-5 Catalog No: AG004V11 MDL No:
Product Description
Catalog Number:
AG004V11
Chemical Name:
Oxazole, 2,4-bis(1,1-dimethylethyl)-4,5-dihydro-, (4S)-
CAS Number:
852524-67-5
Molecular Formula:
C11H21NO
Molecular Weight:
183.2905
IUPAC Name:
(4S)-2,4-ditert-butyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C11H21NO/c1-10(2,3)8-7-13-9(12-8)11(4,5)6/h8H,7H2,1-6H3/t8-/m1/s1
InChI Key:
PTIVBLUCOGTHCE-MRVPVSSYSA-N
SMILES:
CC([C@H]1COC(=N1)C(C)(C)C)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
183.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.295g/mol
Monoisotopic Mass:
183.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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