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863187-81-9 | 1H-Imidazole-1-propanesulfonic acid
CAS No: 863187-81-9 Catalog No: AG004JEQ MDL No:
Product Description
Catalog Number:
AG004JEQ
Chemical Name:
1H-Imidazole-1-propanesulfonic acid
CAS Number:
863187-81-9
Molecular Formula:
C6H10N2O3S
Molecular Weight:
190.2202
IUPAC Name:
3-imidazol-1-ylpropane-1-sulfonic acid
InChI:
InChI=1S/C6H10N2O3S/c9-12(10,11)5-1-3-8-4-2-7-6-8/h2,4,6H,1,3,5H2,(H,9,10,11)
InChI Key:
PDMQZFQHDGEACR-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCCn1cncc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.217g/mol
Monoisotopic Mass:
190.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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