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37151-22-7 | 4,5-dimethyl-2-(thiophen-2-yl)oxazole 3-oxide
CAS No: 37151-22-7 Catalog No: AG01DIOI MDL No:MFCD15093731
Product Description
Catalog Number:
AG01DIOI
Chemical Name:
4,5-dimethyl-2-(thiophen-2-yl)oxazole 3-oxide
CAS Number:
37151-22-7
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD15093731
IUPAC Name:
4,5-dimethyl-3-oxido-2-thiophen-2-yl-1,3-oxazol-3-ium
InChI:
InChI=1S/C9H9NO2S/c1-6-7(2)12-9(10(6)11)8-4-3-5-13-8/h3-5H,1-2H3
InChI Key:
ZGFQXKNJHVDQDT-UHFFFAOYSA-N
SMILES:
Cc1c(C)oc([n+]1[O-])c1cccs1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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