Vitas-M small molecule compound

4-[5-(hydroxymethyl)furan-2-yl]-3-methylbenzoic acid

Catalog ID
STK199022
SMILES OCc1ccc(o1)c1ccc(cc1C)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 C13H12O4 MW 232.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12O4/c1-8-6-9(13(15)16)2-4-11(8)12-5-3-10(7-14)17-12/h2-6,14H,7H2,1H3,(H,15,16)
InChIKey
DPPJBSCBFUJDEM-UHFFFAOYSA-N
Synonyms

4(5(HYDROXYMETHYL)2FURYL)3METHYLBENZOICACID
4(5(HYDROXYMETHYL)FURAN2YL)3METHYLBENZOICACID
BENZOICACID4(5(HYDROXYMETHYL)2FURANYL)3METHYL
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)CO
InChI=1SC13H12O4c1869(13(15)16)2411(8)125310(714)1712h2614H7H21H3(H1516)
MFCD04089314
ZINC000000471116
ZINC471116

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Available files

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