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91795-61-8 | 7-Quinolinesulfonic acid, 1,2,3,4-tetrahydro-, monohydrate
CAS No: 91795-61-8 Catalog No: AG006MG8 MDL No:
Product Description
Catalog Number:
AG006MG8
Chemical Name:
7-Quinolinesulfonic acid, 1,2,3,4-tetrahydro-, monohydrate
CAS Number:
91795-61-8
Molecular Formula:
C9H13NO4S
Molecular Weight:
231.2688
IUPAC Name:
1,2,3,4-tetrahydroquinoline-7-sulfonic acid;hydrate
InChI:
InChI=1S/C9H11NO3S.H2O/c11-14(12,13)8-4-3-7-2-1-5-10-9(7)6-8;/h3-4,6,10H,1-2,5H2,(H,11,12,13);1H2
InChI Key:
RQXIKHBNUVPPQL-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(c1)NCCC2.O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.266g/mol
Monoisotopic Mass:
231.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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