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86065-02-3 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-[2-(methylthio)phenyl]-
CAS No: 86065-02-3 Catalog No: AG004UBD MDL No:
Product Description
Catalog Number:
AG004UBD
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-[2-(methylthio)phenyl]-
CAS Number:
86065-02-3
Molecular Formula:
C12H15NOS
Molecular Weight:
221.3186
IUPAC Name:
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
InChI:
InChI=1S/C12H15NOS/c1-12(2)8-14-11(13-12)9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3
InChI Key:
LBGKIPVHKNMLJS-UHFFFAOYSA-N
SMILES:
CSc1ccccc1C1=NC(CO1)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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