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54443-97-9 | 3-(2-METHYL-1,3-BENZOXAZOL-3-IUM-3-YL)-1-PROPANESULFONATE
CAS No: 54443-97-9 Catalog No: AG00DFMK MDL No:
Product Description
Catalog Number:
AG00DFMK
Chemical Name:
3-(2-METHYL-1,3-BENZOXAZOL-3-IUM-3-YL)-1-PROPANESULFONATE
CAS Number:
54443-97-9
IUPAC Name:
3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate
InChI:
InChI=1S/C11H13NO4S/c1-9-12(7-4-8-17(13,14)15)10-5-2-3-6-11(10)16-9/h2-3,5-6H,4,7-8H2,1H3
InChI Key:
VGMUYGXTYXTNNL-UHFFFAOYSA-N
EC Number:
611-144-4
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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