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412308-72-6 | 4-(4-ethoxyphenyl)-2,3-dihydro-1,3-thiazol-2-one
CAS No: 412308-72-6 Catalog No: AG01A7NJ MDL No:MFCD09746482
Product Description
Catalog Number:
AG01A7NJ
Chemical Name:
4-(4-ethoxyphenyl)-2,3-dihydro-1,3-thiazol-2-one
CAS Number:
412308-72-6
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
MDL Number:
MFCD09746482
IUPAC Name:
4-(4-ethoxyphenyl)-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C11H11NO2S/c1-2-14-9-5-3-8(4-6-9)10-7-15-11(13)12-10/h3-7H,2H2,1H3,(H,12,13)
InChI Key:
TVGUPWQGBAACQI-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1csc(=O)[nH]1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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