8CM

8-HYDROXYCOUMARIN

Created:	2006-06-12
Last modified:	2021-03-01

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3 entries where 8CM 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	11

2D diagram of 8CM

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Chemical Component Summary
Name	8-HYDROXYCOUMARIN
Synonyms	8-HYDROXY-2H-CHROMENE-2-ONE
Systematic Name (OpenEye OEToolkits)	8-hydroxychromen-2-one
Formula	C₉ H₆ O₃
Molecular Weight	162.142
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2Oc1c(O)cccc1C=C2
SMILES	CACTVS	3.341	Oc1cccc2C=CC(=O)Oc12
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(c(c1)O)OC(=O)C=C2
Canonical SMILES	CACTVS	3.341	Oc1cccc2C=CC(=O)Oc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(c(c1)O)OC(=O)C=C2
InChI	InChI	1.03	InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H
InChIKey	InChI	1.03	DPTUTXWBBUARQB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122783
ChEMBL	CHEMBL389988

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