TRIGONELLINE

CAS No.
6138-41-6 ;535-83-1
CCD No.
CCD00036530
Formula
C7 H7 N O2
MolWeight
137.137

Basic Information

Product Name: TRIGONELLINE
CAS: 6138-41-6 ;535-83-1
English Synonyms: BETAIN NICOTINATE ; 1-METHYLPYRIDINIUM-3-CARBOXYLATE ; BETAINE NICOTINATE ; N-METHYLNICOTINATE ; GYNESINE ; COFFEARINE ; NICOTINIC ACID N-METHYLBETAINE ; TRIGONELLINE ; COFFEARIN ; N'-METHYLNICOTINIC ACID ; N-METHYLNICOTINIC ACID ; 1-METHYLPYRIDIN-1-IUM-3-CARBOXYLATE ; 1-METHYL-3-PYRIDINIUMCARBOXYLATE ; CAFFEARINE
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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