AG003NI7

15301-40-3 | 8-Ethoxyquinoline-5-sulfonic acid hydrate

AG003NI7

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CAS Number	15301-40-3
Catalog Number	AG003NI7(AGN-PC-0JKH7G)
Chemical Name	8-Ethoxyquinoline-5-sulfonic acid hydrate
EC Number	239-334-9
IUPAC Name	8-ethoxyquinoline-5-sulfonic acid
InChI	InChI=1S/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15)
InChI Key	YAMVZYRZAMBCED-UHFFFAOYSA-N
MDL Number	MFCD09953679
Molecular Formula	C11H11NO4S
Molecular Weight	253.2743
NSC Number	165584
SMILES	O=S(C1=C2C=CC=NC2=C(OCC)C=C1)(O)=O
UNII	470VQE23O3
Synonyms	8-ethoxyquinoline-5-sulfonic acid, actinoquinol, Actinoquinol, 15301-40-3, 8-ETHOXYQUINOLINE-5-SULFONIC ACID, 8-Ethoxy-5-quinolinesulfonic acid, 5-Quinolinesulfonic acid, 8-ethoxy-, UNII-470VQE23O3, 8-Ethoxy-5-chinolinsulfonsaeure, 470VQE23O3, 8-ethoxyquinoline-5-sulfonic acid hydrate, MFCD00065059, NCGC00166018-01, Actinochinolum, Actinoquinolum, Actinoquinol [INN], Actinoquinolum [INN-Latin], EINECS 239-334-9, NSC165584, ACMC-1BRBD, AC1L2MTR, AC1Q37HM, DSSTox_CID_26521, DSSTox_RID_81687, DSSTox_GSID_46521, SCHEMBL555260, CHEMBL1356732, DTXSID4046521, CTK4C7660, CHEBI:135031, KS-000014CD, ZINC1645025, Tox21_112289, AKOS024319094, MCULE-3677416665, NSC-165584, TRA0037329, VQ10368, 8-Ethoxyquinoline-5-sulfonicAcidHydrate, CC-23371, CAS-15301-40-3, DB-043172, TC-168055, E0339, FT-0637212, ST50409465, A809373, C-15665, I14-93103, sodium tequinol, sodium etoquinol, ACTINOQUINOL SODIUM, CID23674, C11-H11-N-O4-S, ACN-041712, 8-Ethoxyquinoline-5-sulfonic acid monohydrate,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.041g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	253.272g/mol
Monoisotopic Mass	253.041g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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