3QV

7-hydroxy-2-oxo-2H-chromene-3-carbonitrile

Created:	2011-03-03
Last modified:	2011-06-04

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3 entries where 3QV 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 3QV

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Chemical Component Summary
Name	7-hydroxy-2-oxo-2H-chromene-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	7-hydroxy-2-oxo-chromene-3-carbonitrile
Formula	C₁₀ H₅ N O₃
Molecular Weight	187.152
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#CC1=Cc2c(OC1=O)cc(O)cc2
SMILES	CACTVS	3.370	Oc1ccc2C=C(C#N)C(=O)Oc2c1
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(cc1O)OC(=O)C(=C2)C#N
Canonical SMILES	CACTVS	3.370	Oc1ccc2C=C(C#N)C(=O)Oc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(cc1O)OC(=O)C(=C2)C#N
InChI	InChI	1.03	InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H
InChIKey	InChI	1.03	IJQYTHQDUDCJEQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5393173
ChEMBL	CHEMBL150302

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