Vitas-M small molecule compound

3-(3-methylbutoxy)benzoic acid

Catalog ID
STL026210
SMILES CC(CCOc1cccc(c1)C(=O)O)C

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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 C12H16O3 MW 208.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16O3/c1-9(2)6-7-15-11-5-3-4-10(8-11)12(13)14/h3-5,8-9H,6-7H2,1-2H3,(H,13,14)
InChIKey
HOCWIVDRDZHCRS-UHFFFAOYSA-N
Synonyms
128161-60-4
128161604
3(3methylbutoxy)benzoicacid
3(ISOPENTYLOXY)BENZOICACID
3NPENTOXYBENZOICACID
CC(C)CCOC1=CC=CC(=C1)C(=O)O
InChI=1SC12H16O3c19(2)67151153410(811)12(13)14h3589H67H212H3(H1314)
MFCD05819797
ZINC000006883413
ZINC6883413

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Available files

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