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289499-48-5 | 2(3H)-Benzoxazolone, 6-[(2-hydroxyethyl)sulfinyl]-
CAS No: 289499-48-5 Catalog No: AG002X6A MDL No:
Product Description
Catalog Number:
AG002X6A
Chemical Name:
2(3H)-Benzoxazolone, 6-[(2-hydroxyethyl)sulfinyl]-
CAS Number:
289499-48-5
Molecular Formula:
C9H9NO4S
Molecular Weight:
227.2371
IUPAC Name:
6-(2-hydroxyethylsulfinyl)-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H9NO4S/c11-3-4-15(13)6-1-2-7-8(5-6)14-9(12)10-7/h1-2,5,11H,3-4H2,(H,10,12)
InChI Key:
CWNXKELNAQBHGH-UHFFFAOYSA-N
SMILES:
OCCS(=O)c1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.234g/mol
Monoisotopic Mass:
227.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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