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96915-24-1 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-phenyl-, 3-oxide
CAS No: 96915-24-1 Catalog No: AG0065VO MDL No:
Product Description
Catalog Number:
AG0065VO
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-phenyl-, 3-oxide
CAS Number:
96915-24-1
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
4,4-dimethyl-3-oxido-2-phenyl-5H-1,3-oxazol-3-ium
InChI:
InChI=1S/C11H13NO2/c1-11(2)8-14-10(12(11)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
GBBMHGDRMUDWIU-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=[N+]1[O-])c1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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