Vitas-M small molecule compound

4-hydroxy-4,4-diphenylbut-2-ynoic acid

Catalog ID
STK675092
SMILES OC(=O)C#CC(c1ccccc1)(c1ccccc1)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 C16H12O3 MW 252.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12O3/c17-15(18)11-12-16(19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,19H,(H,17,18)
InChIKey
KIUSZYPTAAVLGF-UHFFFAOYSA-N
Synonyms
29262-25-7
29262257
4hydroxy44diphenylbut2ynoicacid
C1=CC=C(C=C1)C(C#CC(=O)O)(C2=CC=CC=C2)O
InChI=1SC16H12O3c1715(18)111216(19137314813)1495261014h11019H(H1718)
MFCD00810269
ZINC000000077096
ZINC77096

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Available files

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