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33943-12-3 | 2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonic acid
CAS No: 33943-12-3 Catalog No: AG01A5Y1 MDL No:MFCD10586233
Product Description
Catalog Number:
AG01A5Y1
Chemical Name:
2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonic acid
CAS Number:
33943-12-3
Molecular Formula:
C7H5NO5S
Molecular Weight:
215.1833
MDL Number:
MFCD10586233
IUPAC Name:
2-oxo-3H-1,3-benzoxazole-5-sulfonic acid
InChI:
InChI=1S/C7H5NO5S/c9-7-8-5-3-4(14(10,11)12)1-2-6(5)13-7/h1-3H,(H,8,9)(H,10,11,12)
InChI Key:
HBDZJQWRCAKVFC-UHFFFAOYSA-N
SMILES:
O=c1oc2c([nH]1)cc(cc2)S(=O)(=O)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:
214.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.179g/mol
Monoisotopic Mass:
214.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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