TRIGONELLINE ,535-83-1 _Chemical Cloud Database

TRIGONELLINE

Basic Information
Product Name：	TRIGONELLINE
CAS：	535-83-1 ;6138-41-6
English Synonyms：	COFFEARINE ; NICOTINIC ACID N-METHYLBETAINE ; N-METHYLNICOTINATE ; 1-METHYLPYRIDINIUM-3-CARBOXYLATE ; CAFFEARINE ; COFFEARIN ; TRIGONELLINE ; BETAIN NICOTINATE ; GYNESINE ; 1-METHYLPYRIDIN-1-IUM-3-CARBOXYLATE ; N'-METHYLNICOTINIC ACID ; BETAINE NICOTINATE ; N-METHYLNICOTINIC ACID ; 1-METHYL-3-PYRIDINIUMCARBOXYLATE
MDL Number.：	MFCD00054262
H bond acceptor：	3
H bond donor：	0
Smile：	C[n+]1cccc(c1)C(=O)[O-]
InChi：	InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
InChiKey：	InChIKey=WWNNZCOKKKDOPX-UHFFFAOYSA-N

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