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89393-45-3 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-[3-(1-methylpropyl)phenyl]-
CAS No: 89393-45-3 Catalog No: AG003WJU MDL No:
Product Description
Catalog Number:
AG003WJU
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-[3-(1-methylpropyl)phenyl]-
CAS Number:
89393-45-3
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
2-(3-butan-2-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C15H21NO/c1-5-11(2)12-7-6-8-13(9-12)14-16-15(3,4)10-17-14/h6-9,11H,5,10H2,1-4H3
InChI Key:
YQIUWJPUZFTUIU-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)C1=NC(CO1)(C)C)C
Properties
Complexity:
295
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:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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