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70615-15-5 | 2,5-dimethyl-3-(3-sulphonatopropyl)benzoxazolium
CAS No: 70615-15-5 Catalog No: AG00FPLU MDL No:
Product Description
Catalog Number:
AG00FPLU
Chemical Name:
2,5-dimethyl-3-(3-sulphonatopropyl)benzoxazolium
CAS Number:
70615-15-5
IUPAC Name:
3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate
InChI:
InChI=1S/C12H15NO4S/c1-9-4-5-12-11(8-9)13(10(2)17-12)6-3-7-18(14,15)16/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
ZKSJRECMNSQHIZ-UHFFFAOYSA-N
EC Number:
274-698-2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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