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89177-04-8 | 1,2-Benzoxathiin-5-ol, 3,4-dihydro-, 2,2-dioxide
CAS No: 89177-04-8 Catalog No: AG003WE8 MDL No:
Product Description
Catalog Number:
AG003WE8
Chemical Name:
1,2-Benzoxathiin-5-ol, 3,4-dihydro-, 2,2-dioxide
CAS Number:
89177-04-8
Molecular Formula:
C8H8O4S
Molecular Weight:
200.2117
IUPAC Name:
2,2-dioxo-3,4-dihydro-1,2λ6-benzoxathiin-5-ol
InChI:
InChI=1S/C8H8O4S/c9-7-2-1-3-8-6(7)4-5-13(10,11)12-8/h1-3,9H,4-5H2
InChI Key:
UCDRSFCJMCYANS-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1CCS(=O)(=O)O2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.014g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.208g/mol
Monoisotopic Mass:
200.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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