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73101-64-1 | Sodium benzo[d]isoxazol-3-ylmethanesulfonate
CAS No: 73101-64-1 Catalog No: AG003UBR MDL No:MFCD07782146
Product Description
Catalog Number:
AG003UBR
Chemical Name:
Sodium benzo[d]isoxazol-3-ylmethanesulfonate
CAS Number:
73101-64-1
Molecular Formula:
C8H6NNaO4S
Molecular Weight:
235.1923
MDL Number:
MFCD07782146
IUPAC Name:
sodium;1,2-benzoxazol-3-ylmethanesulfonate
InChI:
InChI=1S/C8H7NO4S.Na/c10-14(11,12)5-7-6-3-1-2-4-8(6)13-9-7;/h1-4H,5H2,(H,10,11,12);/q;+1/p-1
InChI Key:
QILCHBOPDIODSB-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)Cc1noc2c1cccc2.[Na+]
EC Number:
615-908-8
UNII:
61MWM0KQ3O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.189g/mol
Monoisotopic Mass:
234.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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