Vitas-M small molecule compound

4-(butan-2-yloxy)benzoic acid

Catalog ID
STK014340
SMILES CCC(Oc1ccc(cc1)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 C11H14O3 MW 194.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14O3/c1-3-8(2)14-10-6-4-9(5-7-10)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)
InChIKey
LCMFDJQAHNDLEI-UHFFFAOYSA-N
Synonyms
104097-41-8
104097418
4(BUTAN2YLOXY)BENZOICACID
4(METHYLPROPOXY)BENZOICACID
4(SECBUTOXY)BENZOICACID
4BUTAN2YLOXYBENZOICACID
4SECBUTOXYBENZOICACID
BENZOICACID4(1METHYLPROPOXY)
CCC(C)OC1=CC=C(C=C1)C(=O)O
CCC(Oc1ccc(cc1)C(=O)O)C
InChI=1SC11H14O3c138(2)1410649(5710)11(12)13h48H3H212H3(H1213)
MFCD01333527
STK014340
ZINC000000489618
ZINC000000489619

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Available files

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