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87306-63-6 | Oxazole, 2-[2-(1,1-dimethylethyl)phenyl]-4,5-dihydro-4,4-dimethyl-
CAS No: 87306-63-6 Catalog No: AG004HP5 MDL No:
Product Description
Catalog Number:
AG004HP5
Chemical Name:
Oxazole, 2-[2-(1,1-dimethylethyl)phenyl]-4,5-dihydro-4,4-dimethyl-
CAS Number:
87306-63-6
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
2-(2-tert-butylphenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C15H21NO/c1-14(2,3)12-9-7-6-8-11(12)13-16-15(4,5)10-17-13/h6-9H,10H2,1-5H3
InChI Key:
UKLYQTWONVIXSB-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)c1ccccc1C(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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