4-Methylumbelliferone

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Systematic / IUPAC Name: 7-Hydroxy-4-methylchromen-2-one

ID: Reference240

Other Names: 7-Hydroxy-4-methylcoumarin;
β-Methylumbelliferone;
7-Hydroxy-4-methyl-2H-chromen-2-one;
4-Methyl-7-hydroxycoumarin;
2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl- ; more

Formula: C10H8O3

Class: Therapeutics/Prescription Drugs

Spectral Data

4-Methylumbelliferone 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 237
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/27/2014 10:59:44 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
InChI Key HSHNITRMYYLLCV-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=O)OC2=C1C=CC(=C2)O
CAS 90335
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Other Names 7-Hydroxy-4-methylcoumarin;
β-Methylumbelliferone;
7-Hydroxy-4-methyl-2H-chromen-2-one;
4-Methyl-7-hydroxycoumarin;
2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-;
4-Methylumbelliferon;
Coumarin, 7-hydroxy-4-methyl-;
7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran;
2H-1-Benzopyran, 7-hydroxy-4-methyl-2-oxo-;
2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-;
Methylumbelliferone, β;
7-Hydroxy-4-methyl-2-oxo-2H-chromene;
7-Hydroxy-4-methyl-2H-1-benzopyran-2-one;
Imecromone;
Cholestil;
Mendiaxon;
Cantabiline;
Cholonerton;
Resocyanine;
Bilcolic;
Bilicante;
Cantabilin;
Crodimon;
Eurogale;
Hymecromon;
Medilla;
Cumarote-C

In Other Databases

PubChem 5280567
ChemSpider 4444190
ChemIDPlus 000090335; 005980336
HMDb HMDB59622
ChEMBL CHEMBL12208
Wikipedia Hymecromone
ChEBI CHEBI:17224
KEGG C03081; D00170