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179863-07-1

179863-07-1 | 1H-Imidazolium, 1-methyl-3-(4-sulfobutyl)-, inner salt

CAS No: 179863-07-1 Catalog No: AG0027BC MDL No:

Product Description

Catalog Number:
AG0027BC
Chemical Name:
1H-Imidazolium, 1-methyl-3-(4-sulfobutyl)-, inner salt
CAS Number:
179863-07-1
IUPAC Name:
butane-1-sulfonate;7-methyl-2-oxa-7-aza-5-azoniabicyclo[2.2.1]hepta-1(6),4-dien-3-one
InChI:
InChI=1S/C5H4N2O2.C4H10O3S/c1-7-3-2-6-4(7)5(8)9-3;1-2-3-4-8(5,6)7/h2H,1H3;2-4H2,1H3,(H,5,6,7)
InChI Key:
YASNZTRKWGDOMH-UHFFFAOYSA-N

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.062g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.28g/mol
Monoisotopic Mass:
262.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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