AG003M0I

53054-76-5 | 2-(Pyridin-4-yl)ethanesulfonic acid

AG003M0I

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CAS Number	53054-76-5
Catalog Number	AG003M0I(AGN-PC-0JM236)
Chemical Name	2-(Pyridin-4-yl)ethanesulfonic acid
EC Number	258-331-3
IUPAC Name	2-pyridin-4-ylethanesulfonic acid
InChI	InChI=1S/C7H9NO3S/c9-12(10,11)6-3-7-1-4-8-5-2-7/h1-2,4-5H,3,6H2,(H,9,10,11)
InChI Key	RGIIAYDCZSXHGL-UHFFFAOYSA-N
MDL Number	MFCD00006452
Molecular Formula	C7H9NO3S
Molecular Weight	187.2163
NSC Number	87853
SMILES	O=S(CCC1=CC=NC=C1)(O)=O
Synonyms	4-Pyridineethanesulfonic acid, 53054-76-5, 2-(4-Pyridyl)ethanesulfonic acid, 2-(pyridin-4-yl)ethanesulfonic acid, 4-Pyridylethylsulfonic acid, 2-pyridin-4-ylethanesulfonic acid, 4-Pyridyl-2-ethyl sulfonic acid, RGIIAYDCZSXHGL-UHFFFAOYSA-N, MFCD00006452, 2-(pyridin-4-yl)ethane-1-sulfonic acid, W-105778, 4-Pyridineethanesulfonicacid, 2-(4-Pyridyl)ethanesulphonic acid, EINECS 258-331-3, NSC 87853, 4-(2-Sulfoethyl)pyridine, ACMC-209l3n, AC1L3X2X, AC1Q6X7R, 4-(2-Sulfoethyl)-pyridine, NCIOpen2_001104, SCHEMBL819155, 4-Pyridine ethanesulfonic acid, 4-pyridine ethane sulfonic acid, DTXSID9068823, 2-(4-Pyridyl)ethanesulfonicAcid, CTK1H1758, ALBB-025873, KS-000013FK, NSC87853, ZINC2022056, ZX-AN024386, ZX-AT014270, ANW-31617, NSC-87853, OR8834, SBB057700, SBB072726, STL452830, 2-(4-Pyridinyl)ethanesulfonic acid #, AKOS005206915, .beta.-(4-Pyridyl)ethanesulfonic acid, FCH1116145, FG-0451, MCULE-7795125957, VP14746, 2-(4-Pyridyl)ethanesulfonic acid, 97%, AN-40852, CC-20372, DB-052243, TC-120362, FT-0616560, P0353, R1145, ST45029041, ST51006868, C-30644, C7H9NO3S, C7-H9-N-O3-S, CID96722, AR-1G4525, 54010-19-4,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.03g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.213g/mol
Monoisotopic Mass	187.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2585

Certificate of Analysis

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