Vitas-M small molecule compound

4-({2-[(1E)-prop-1-en-1-yl]phenoxy}methyl)benzoic acid

Catalog ID
STK085123
SMILES C/C=C/c1ccccc1OCc1ccc(cc1)C(=O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C17H16O3 MW 268.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16O3/c1-2-5-14-6-3-4-7-16(14)20-12-13-8-10-15(11-9-13)17(18)19/h2-11H,12H2,1H3,(H,18,19)/b5-2+
InChIKey
BYEQRVQYSXFEQR-GORDUTHDSA-N
Synonyms
431916-19-7
(E)4((2(prop1en1yl)phenoxy)methyl)benzoicacid
4((2((1E)PROP1EN1YL)PHENOXY)METHYL)BENZOICACID
4((2((E)PROP1ENYL)PHENOXY)METHYL)BENZOICACID
431916197
CC=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)O
CC=Cc1ccccc1OCc1ccc(cc1)C(=O)O
InChI=1SC17H16O3c12514634716(14)20121381015(11913)17(18)19h211H12H21H3(H1819)b52+
MFCD02766566
STK085123
ZINC000000185923
ZINC185923

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.