5-Isoquinolinesulfonic acid


Chemical Name: 5-Isoquinolinesulfonic acid
CAS Number: 27655-40-9
Product Number: AG002UCB(AGN-PC-0JOG62)
Synonyms:
MDL No:
Molecular Formula: C9H7NO3S
Molecular Weight: 209.2218

Identification/Properties


Properties
MP:
300 °C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5364 (estimate)
Computed Properties
Molecular Weight:
209.219g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
209.015g/mol
Monoisotopic Mass:
209.015g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
296
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2585
Hazard Statements:
H290-H314-H318
Precautionary Statements:
P280-P303+P361+P353-P304+P340-P305+P351+P338
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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