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67411-70-5 | Ethanone, 2-(2-methyl-4-thiazolyl)-1-(2,4,6-trihydroxyphenyl)-
CAS No: 67411-70-5 Catalog No: AG006HI1 MDL No:
Product Description
Catalog Number:
AG006HI1
Chemical Name:
Ethanone, 2-(2-methyl-4-thiazolyl)-1-(2,4,6-trihydroxyphenyl)-
CAS Number:
67411-70-5
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
IUPAC Name:
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,6-trihydroxyphenyl)ethanone
InChI:
InChI=1S/C12H11NO4S/c1-6-13-7(5-18-6)2-9(15)12-10(16)3-8(14)4-11(12)17/h3-5,14,16-17H,2H2,1H3
InChI Key:
LOCIFWQOUQDYOS-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(c(c1)O)C(=O)Cc1csc(n1)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.283g/mol
Monoisotopic Mass:
265.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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