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112339-60-3 | 2-METHYL-3-(4-SULFOBUTYL)BENZOXAZOLIUM BETAINE
CAS No: 112339-60-3 Catalog No: AG008R4T MDL No:
Product Description
Catalog Number:
AG008R4T
Chemical Name:
2-METHYL-3-(4-SULFOBUTYL)BENZOXAZOLIUM BETAINE
CAS Number:
112339-60-3
IUPAC Name:
4-(2-methyl-1,3-benzoxazol-3-ium-3-yl)butane-1-sulfonate
InChI:
InChI=1S/C12H15NO4S/c1-10-13(8-4-5-9-18(14,15)16)11-6-2-3-7-12(11)17-10/h2-3,6-7H,4-5,8-9H2,1H3
InChI Key:
AFFVDWPSCIEHAM-UHFFFAOYSA-N
Properties
Complexity:
351
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:
4
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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