Vitas-M small molecule compound

5-hydroxy-4-methyl-7-propyl-2H-chromen-2-one

Catalog ID
STL170926
SMILES CCCc1cc(O)c2c(c1)oc(=O)cc2C

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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 C13H14O3 MW 218.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14O3/c1-3-4-9-6-10(14)13-8(2)5-12(15)16-11(13)7-9/h5-7,14H,3-4H2,1-2H3
InChIKey
UDMRRUFQIPTYHI-UHFFFAOYSA-N
Synonyms
312591-03-0
312591030
4METHYL5OXIDANYL7PROPYLCHROMEN2ONE
5HYDROXY4METHYL7PROPYL1BENZOPYRAN2ONE
5hydroxy4methyl7propyl2Hchromen2one
5HYDROXY4METHYL7PROPYLCHROMEN2ONE
5HYDROXY4METHYL7PROPYLCOUMARIN
CCCC1=CC2=C(C(=CC(=O)O2)C)C(=C1)O
InChI=1SC13H14O3c1349610(14)138(2)512(15)1611(13)79h5714H34H212H3
MFCD00458587
ZINC000005686270
ZINC05686270
ZINC5686270

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Available files

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