6,7-Dihydroxy-4-methylcoumarin

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Systematic / IUPAC Name: 6,7-Dihydroxy-4-methyl-2H-chromen-2-one

ID: Reference266

Other Names: 4-Methylesculetin;
Methylesculetin;
4-Methylesculetol;
4-Methyl-6,7-dihydroxycoumarin;
6,7-Dihydroxy-4-methylchromen-2-one ; more

Formula: C10H8O4

Spectral Data

6,7-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 257
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 4:01:30 PM
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Identificators

InChI InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3
InChI Key KVOJTUXGYQVLAJ-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=O)OC2=CC(=C(C=C12)O)O
CAS 529840
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Other Names 4-Methylesculetin;
Methylesculetin;
4-Methylesculetol;
4-Methyl-6,7-dihydroxycoumarin;
6,7-Dihydroxy-4-methylchromen-2-one;
6,7-Dihydroxy-4-methyl-2H-benzopyran-2-one;
2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl-;
Coumarin, 6,7-dihydroxy-4-methyl-;
6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one

In Other Databases

ChemSpider 4477791
ChemIDPlus 000529840
PubChem 5319502
ChEMBL CHEMBL313244