07L

7-hydroxy-2H-chromen-2-one

Created:	2011-09-29
Last modified:	2021-03-01

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5 entries where 07L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of 07L

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Chemical Component Summary
Name	7-hydroxy-2H-chromen-2-one
Synonyms	7-hydroxycoumarin
Systematic Name (OpenEye OEToolkits)	7-oxidanylchromen-2-one
Formula	C₉ H₆ O₃
Molecular Weight	162.142
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2Oc1cc(O)ccc1C=C2
SMILES	CACTVS	3.370	Oc1ccc2C=CC(=O)Oc2c1
SMILES	OpenEye OEToolkits	1.7.2	c1cc2c(cc1O)OC(=O)C=C2
Canonical SMILES	CACTVS	3.370	Oc1ccc2C=CC(=O)Oc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cc2c(cc1O)OC(=O)C=C2
InChI	InChI	1.03	InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
InChIKey	InChI	1.03	ORHBXUUXSCNDEV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL51628
PubChem	5281426
ChEMBL	CHEMBL51628
ChEBI	CHEBI:27510
CCDC/CSD	DETFOX, DETFOX01

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.