Vitas-M small molecule compound
4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoic acid
Catalog ID
STK052796
SMILES OC(=O)c1ccc(cc1)C#CC(O)(C)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 C12H12O3 MW 204.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12O3/c1-12(2,15)8-7-9-3-5-10(6-4-9)11(13)14/h3-6,15H,1-2H3,(H,13,14)InChIKey
JBLUITWCDABZAF-UHFFFAOYSA-NSynonyms
63165-02-64(3HYDROXY3METHYL1BUTYNYL)BENZOICACID
4(3HYDROXY3METHYLBUT1YN1YL)BENZOICACID
4(3HYDROXY3METHYLBUT1YNYL)BENZOICACID
4(3METHYL3OXIDANYLBUT1YNYL)BENZOICACID
63165026
CC(C)(C#CC1=CC=C(C=C1)C(=O)O)O
InChI=1SC12H12O3c112(215)8793510(649)11(13)14h3615H12H3(H1314)
MFCD00168835
OC(=O)c1ccc(cc1)C#CC(O)(C)C
STK052796
ZINC000019088312
ZINC19088312
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