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67411-69-2 | Ethanone, 2-(4-thiazolyl)-1-(2,4,6-trihydroxyphenyl)-
CAS No: 67411-69-2 Catalog No: AG006HI2 MDL No:
Product Description
Catalog Number:
AG006HI2
Chemical Name:
Ethanone, 2-(4-thiazolyl)-1-(2,4,6-trihydroxyphenyl)-
CAS Number:
67411-69-2
Molecular Formula:
C11H9NO4S
Molecular Weight:
251.2585
IUPAC Name:
2-(1,3-thiazol-4-yl)-1-(2,4,6-trihydroxyphenyl)ethanone
InChI:
InChI=1S/C11H9NO4S/c13-7-2-9(15)11(10(16)3-7)8(14)1-6-4-17-5-12-6/h2-5,13,15-16H,1H2
InChI Key:
VQZNUFLVFLQOMV-UHFFFAOYSA-N
SMILES:
O=C(c1c(O)cc(cc1O)O)Cc1ncsc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.256g/mol
Monoisotopic Mass:
251.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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