AG00DEDZ

4808-70-2 | 5-Methylpyridine-3-sulfonic acid

AG00DEDZ

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CAS Number	4808-70-2
Catalog Number	AG00DEDZ(AGN-PC-0KKOUV)
Chemical Name	5-Methylpyridine-3-sulfonic acid
IUPAC Name	5-methylpyridine-3-sulfonic acid
InChI	InChI=1S/C6H7NO3S/c1-5-2-6(4-7-3-5)11(8,9)10/h2-4H,1H3,(H,8,9,10)
InChI Key	GHCQNEIFBBBMQB-UHFFFAOYSA-N
MDL Number	MFCD01110816
Molecular Formula	C6H7NO3S
Molecular Weight	173.1897
SMILES	S(=O)(=O)(O)c1cc(C)cnc1
Synonyms	5-methylpyridine-3-sulfonic Acid, 4808-70-2, 5-methyl-pyridine-3-sulfonic acid, 3-Pyridinesulfonic acid, 5-methyl-, AK-29286, PubChem16071, AC1Q2OIG, AC1MC6W9, beta-picoline-5-sulphonic acid, AC1Q2H88, SCHEMBL5149378, CTK1D5679, 5-methyl-3-pyridinesulfonic acid, DTXSID60376233, GHCQNEIFBBBMQB-UHFFFAOYSA-N, 3-Pyridinesulfonicacid, 5-methyl-, KS-00000F7P, ZINC6199172, FCH837654, MFCD00023571, AKOS006275345, AC-4764, ACM4808702, CM-1012, MCULE-2526813315, RP23548, VP14813, AJ-55948, AN-11656, DS-11067, AX8104911, DB-010156, TC-072039, TL8003248, 4CH-006681, CS-0043755, FT-0620632, ST24033062, 808M702, A827462, I02-1005, J-517829, ACN-039029, CID2762464, p-Chloro-beta-methylphenethylamine hydrochloride,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.015g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.186g/mol
Monoisotopic Mass	173.015g/mol
Rotatable Bond Count	1
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
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number