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54001-03-5 | 1-[4-Methyl-2-(4-methylphenyl)-5-thiazolyl]ethanone
CAS No: 54001-03-5 Catalog No: AG00E3V3 MDL No:MFCD07354132
Product Description
Catalog Number:
AG00E3V3
Chemical Name:
1-[4-Methyl-2-(4-methylphenyl)-5-thiazolyl]ethanone
CAS Number:
54001-03-5
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
MDL Number:
MFCD07354132
IUPAC Name:
1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
InChI:
InChI=1S/C13H13NOS/c1-8-4-6-11(7-5-8)13-14-9(2)12(16-13)10(3)15/h4-7H,1-3H3
InChI Key:
DZVDZLFPXREJEC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc(c(s1)C(=O)C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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