3AV

6-methyl-2H-chromen-2-one

Created:	2014-07-16
Last modified:	2015-05-06

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2 entries where 3AV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of 3AV

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Chemical Component Summary
Name	6-methyl-2H-chromen-2-one
Systematic Name (OpenEye OEToolkits)	6-methylchromen-2-one
Formula	C₁₀ H₈ O₂
Molecular Weight	160.169
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2Oc1ccc(cc1C=C2)C
SMILES	CACTVS	3.385	Cc1ccc2OC(=O)C=Cc2c1
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc2c(c1)C=CC(=O)O2
Canonical SMILES	CACTVS	3.385	Cc1ccc2OC(=O)C=Cc2c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc2c(c1)C=CC(=O)O2
InChI	InChI	1.03	InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
InChIKey	InChI	1.03	FXFYOPQLGGEACP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7092
ChEMBL	CHEMBL443436
ChEBI	CHEBI:563586
CCDC/CSD	EGOSEA

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.