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1-Methylpyridinium-3-sulfonate

1-Methylpyridinium-3-sulfonate structure

CAS No:
21876-47-1
Formula:
C6H7NO3S
Chemical Name:
1-Methylpyridinium-3-sulfonate
Synonyms:
Pyridinium,1-methyl-3-sulfo-,inner salt;Pyridinium,1-methyl-3-sulfo-,hydroxide,inner salt;1-Methyl-3-sulfopyridinium hydroxide,inner salt;N-Methylpyridine-3-sulfonic acid betaine;1-Methyl-3-sulfopyridinium betaine;NSC 158053;1-Methylpyridinium-3-sulfonate;1-Methylpyridin-1-ium-3-sulfonate;1-Methyl-3-sulfonatopyridinium

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1-Methylpyridinium-3-sulfonate Basic Attributes

Molecular Weight：

173.19 g/mol

Exact Mass：

173.01466426 g/mol

EC Number：

244-626-4

UNII：

66G3BP5GFV

NSC Number：

158053

DSSTox ID：

DTXSID00176279

Characteristics

PSA：

69.5 Å²

Safety Information

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:173.19
XLogP3:-0.4
Hydrogen Bond Acceptor Count:3
Exact Mass:173.01466426
Monoisotopic Mass:173.01466426
Topological Polar Surface Area:69.5
Heavy Atom Count:11
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Methylpyridinium-3-sulfonate

Basic Attributes
Characteristics
Safety Information
Computed Properties

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