8-hydroxyquinoline-5-sulfonic acid hydrate

8-hydroxyquinoline-5-sulfonic acid hydrate

CAS: 207386-92-3

Formula: C9H9NO5S

SMILES: O.OC1=CC=C(C2=CC=CN=C12)S(O)(=O)=O

IUPAC: 8-hydroxyquinoline-5-sulfonic acid hydrate

InChI: InChI=1S/C9H7NO4S.H2O/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h1-5,11H,(H,12,13,14);1H2

Composition: C (44.44%), H (3.73%), N (5.76%), O (32.89%), S (13.18%)

Molar Mass: 243.23

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	243.020143568
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	WUXYGIQVWKDVTJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.58
Topological Polar Surface Area	87.49
Polarizability	22.16
Ring Count	2
Rotatable Bond Count	1

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