Vitas-M small molecule compound

methyl 4-(1,3-dioxan-2-yl)benzoate

Catalog ID
STK734212
SMILES COC(=O)c1ccc(cc1)C1OCCCO1

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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 C12H14O4 MW 222.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14O4/c1-14-11(13)9-3-5-10(6-4-9)12-15-7-2-8-16-12/h3-6,12H,2,7-8H2,1H3
InChIKey
KMFDOQIVXCQKPY-UHFFFAOYSA-N
Synonyms
135655-75-3
135655753
4(13DIOXANE2YL)BENZOICACIDMETHYLESTER
BENZOICACID4(13DIOXAN2YL)METHYLESTER
COC(=O)C1=CC=C(C=C1)C2OCCCO2
InChI=1SC12H14O4c11411(13)93510(649)12157281612h3612H278H21H3
methyl4(13dioxan2yl)benzoate
MFCD02612723
ZINC000000087194
ZINC00087194
ZINC87194

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Available files

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