QX4

4-hydroxy-6-methyl-2H-1-benzopyran-2-one

Created:	2020-01-10
Last modified:	2020-05-06

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2 entries where QX4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of QX4

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Chemical Component Summary
Name	4-hydroxy-6-methyl-2H-1-benzopyran-2-one
Systematic Name (OpenEye OEToolkits)	6-methyl-4-oxidanyl-chromen-2-one
Formula	C₁₀ H₈ O₃
Molecular Weight	176.169
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=2C(=O)Oc1ccc(C)cc1C=2O
SMILES	CACTVS	3.385	Cc1ccc2OC(=O)C=C(O)c2c1
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)C(=CC(=O)O2)O
Canonical SMILES	CACTVS	3.385	Cc1ccc2OC(=O)C=C(O)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)C(=CC(=O)O2)O
InChI	InChI	1.03	InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3
InChIKey	InChI	1.03	WIRGBZBGYNIZIB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	54686349
ChEMBL	CHEMBL1631885

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.