HFC

6,7-bis(oxidanyl)chromen-2-one

Created:	2020-12-24
Last modified:	2021-10-27

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1 entries where HFC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of HFC

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Chemical Component Summary
Name	6,7-bis(oxidanyl)chromen-2-one
Systematic Name (OpenEye OEToolkits)	6,7-bis(oxidanyl)chromen-2-one
Formula	C₉ H₆ O₄
Molecular Weight	178.142
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cc2OC(=O)C=Cc2cc1O
SMILES	OpenEye OEToolkits	2.0.7	c1c2c(cc(c1O)O)OC(=O)C=C2
Canonical SMILES	CACTVS	3.385	Oc1cc2OC(=O)C=Cc2cc1O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c2c(cc(c1O)O)OC(=O)C=C2
InChI	InChI	1.03	InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChIKey	InChI	1.03	ILEDWLMCKZNDJK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL244743
PubChem	5281416
ChEMBL	CHEMBL244743
ChEBI	CHEBI:490095
CCDC/CSD	ESCULT

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.