200,000+ products from a single source!
sales@angenechem.com
850314-30-6 | 3(2H)-Isothiazolone, 5-(3-hydroxyphenyl)-, 1,1-dioxide
CAS No: 850314-30-6 Catalog No: AG004TDI MDL No:
Product Description
Catalog Number:
AG004TDI
Chemical Name:
3(2H)-Isothiazolone, 5-(3-hydroxyphenyl)-, 1,1-dioxide
CAS Number:
850314-30-6
Molecular Formula:
C9H7NO4S
Molecular Weight:
225.2212
IUPAC Name:
5-(3-hydroxyphenyl)-1,1-dioxo-1,2-thiazol-3-one
InChI:
InChI=1S/C9H7NO4S/c11-7-3-1-2-6(4-7)8-5-9(12)10-15(8,13)14/h1-5,11H,(H,10,12)
InChI Key:
FJABEDRGNJSWCC-UHFFFAOYSA-N
SMILES:
O=C1C=C(S(=O)(=O)N1)c1cccc(c1)O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.218g/mol
Monoisotopic Mass:
225.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.