Vitas-M small molecule compound

3-methyl-5-oxo-5-phenylpentanoic acid

Catalog ID
STL177556
SMILES CC(CC(=O)O)CC(=O)c1ccccc1

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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 C12H14O3 MW 206.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14O3/c1-9(8-12(14)15)7-11(13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKey
DGKMKGNXHZXIKE-UHFFFAOYSA-N
Synonyms
2840-61-1
2840611
3METHYL4BENZOYLBUTYRICACID
3methyl5oxo5phenylpentanoicacid
3METHYL5OXO5PHENYLVALERICACID
CC(CC(=O)C1=CC=CC=C1)CC(=O)O
InChI=1SC12H14O3c19(812(14)15)711(13)105324610h269H78H21H3(H1415)
MFCD01896657
ZINC000002387535
ZINC000002803055

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Available files

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