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Home > Thiazole > 1349718-06-4
1349718-06-4 | 3-(2-Oxo-2,3-dihydrobenzothiazol-6-yl)benzyl alcohol
CAS No: 1349718-06-4 Catalog No: AG01F8H5 MDL No:
Product Description
Catalog Number:
AG01F8H5
Chemical Name:
3-(2-Oxo-2,3-dihydrobenzothiazol-6-yl)benzyl alcohol
CAS Number:
1349718-06-4
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
6-[3-(hydroxymethyl)phenyl]-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C14H11NO2S/c16-8-9-2-1-3-10(6-9)11-4-5-12-13(7-11)18-14(17)15-12/h1-7,16H,8H2,(H,15,17)
InChI Key:
CLOSKQNPJVPRQF-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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