Basic Information |
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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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