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113888-30-5 | Naphtho[2,3-d]thiazole-4,9-dione, 5-hydroxy-
CAS No: 113888-30-5 Catalog No: AG000A0P MDL No:
Product Description
Catalog Number:
AG000A0P
Chemical Name:
Naphtho[2,3-d]thiazole-4,9-dione, 5-hydroxy-
CAS Number:
113888-30-5
Molecular Formula:
C11H5NO3S
Molecular Weight:
231.2273
IUPAC Name:
5-hydroxybenzo[f][1,3]benzothiazole-4,9-dione
InChI:
InChI=1S/C11H5NO3S/c13-6-3-1-2-5-7(6)10(15)8-11(9(5)14)16-4-12-8/h1-4,13H
InChI Key:
VRNNQXGNBLZANY-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1C(=O)c1ncsc1C2=O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.999g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.225g/mol
Monoisotopic Mass:
230.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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