AG006Y0D

4808-71-3 | 4-Methylpyridine-3-sulfonic acid

AG006Y0D

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CAS Number	4808-71-3
Catalog Number	AG006Y0D(AGN-PC-0JO70W)
Chemical Name	4-Methylpyridine-3-sulfonic acid
IUPAC Name	4-methylpyridine-3-sulfonic acid
InChI	InChI=1S/C6H7NO3S/c1-5-2-3-7-4-6(5)11(8,9)10/h2-4H,1H3,(H,8,9,10)
InChI Key	YQNKGAZLNOIECR-UHFFFAOYSA-N
MDL Number	MFCD00661349
Molecular Formula	C6H7NO3S
Molecular Weight	173.1897
NSC Number	19880
SMILES	O=S(C1=C(C)C=CN=C1)(O)=O
Synonyms	4-methylpyridine-3-sulfonic acid, 4808-71-3, 4-methyl-pyridine-3-sulfonic acid, 3-Pyridinesulfonic acid, 4-methyl-, AK-46481, 4-Methylpyridine-3-sulfonicacid, NSC19880, AC1L5FRC, AC1Q2NYD, SCHEMBL2563881, CTK1D8623, 4-methyl-3-pyridinesulfonic acid, DTXSID10281045, KS-00000O7F, ZINC1843130, ANW-53946, CCG-54479, FCH841769, MFCD00661349, NSC-19880, AKOS004907253, AC-4765, ACM4808713, CM-1011, MCULE-8847546525, VP14728, AJ-31807, AN-11657, DS-13882, AX8099127, DB-010144, TC-072040, TL8003249, 4CH-023637, CS-0043756, FT-0646254, ST24043931, 808M713, A827463, I02-1000, SR-01000643572-1, CID227805, ACN-039030, 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