5,7-Dihydroxy-4-methylcoumarin

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Systematic / IUPAC Name: 5,7-Dihydroxy-4-methyl-2H-chromen-2-one

ID: Reference246

Other Names: 4-Methyllimetol;
4-Methyl-5,7-dihydroxycoumarin;
5,7-Dihydroxy-4-methylchromen-2-one;
2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl-;
5,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one ; more

Formula: C10H8O4

Spectral Data

5,7-Dihydroxy-4-methylcoumarin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 270
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 11/28/2014 8:38:26 AM
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Identificators

InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
InChI Key QNVWGEJMXOQQPM-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=O)OC2=CC(=CC(=C12)O)O
CAS 2107768
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Other Names 4-Methyllimetol;
4-Methyl-5,7-dihydroxycoumarin;
5,7-Dihydroxy-4-methylchromen-2-one;
2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl-;
5,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one;
Coumarin, 5,7-dihydroxy-4-methyl-;
5,7-Dihydroxy-4-methyl-2-chromenone

In Other Databases

PubChem 5354284
ChemSpider 4510504
ChemIDPlus 002107768
ChEMBL CHEMBL12252