4-Hydroxycoumarin

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Systematic / IUPAC Name: 4-Hydroxychromen-2-one

ID: Reference235

Other Names: Coumarin, 4-hydroxy-;
4-Hydroxy-2H-chromen-2-one;
2H-1-Benzopyran-2-one, 4-hydroxy-;
4-Hydroxy-2H-1-benzopyran-2-one;
4-Hydroxy-1-benzopyran-2-one ; more

Formula: C9H6O3

Class: Endogenous Metabolites

Spectral Data

4-Hydroxycoumarin 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 245
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 7:12:26 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChI Key VXIXUWQIVKSKSA-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=CC(=O)O2)O
CAS 1076386
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Other Names Coumarin, 4-hydroxy-;
4-Hydroxy-2H-chromen-2-one;
2H-1-Benzopyran-2-one, 4-hydroxy-;
4-Hydroxy-2H-1-benzopyran-2-one;
4-Hydroxy-1-benzopyran-2-one;
4-Hydroxy-2-chromenone;
4-Hydroxy-2H-benzo[b]pyran-2-one;
4-Coumarinol

In Other Databases

ChEBI CHEBI:40070
ChemSpider 10254753
KEGG C20414
Wikipedia 4-Hydroxycoumarin
ChEMBL CHEMBL301141
PubChem 54682930