Vitas-M small molecule compound

4-(propan-2-yl)benzoic acid

Catalog ID
STK012850
SMILES CC(c1ccc(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 C10H12O2 MW 164.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey
CKMXAIVXVKGGFM-UHFFFAOYSA-N
Synonyms
536-66-3
4(1METHYLETHYL)BENZOICACID
4(METHYLETHYL)BENZOICACID
4(PROPAN2YL)BENZOICACID
4ISOPROPYLBENZOICACID
4ISOPROPYLBENZOICACID90
4PROPAN2YLBENZOICACID
536663
BENZOICACID4(1METHYLETHYL)
BENZOICACIDPISOPROPYL
BENZOICACIDPISOPROPYL(8CI)
CC(C)C1=CC=C(C=C1)C(=O)O
InChI=1SC10H12O2c17(2)8359(648)10(11)12h37H12H3(H1112)
MFCD00002564
PISOPROPYLBENZOICACID
STK012850
ZINC000000151915
ZINC151915

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Available files

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