9WB

2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one

Created:	2017-07-19
Last modified:	2018-02-14

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1 entries where 9WB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of 9WB

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Chemical Component Summary
Name	2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one
Systematic Name (OpenEye OEToolkits)	2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one
Formula	C₁₃ H₁₃ N O
Molecular Weight	199.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=CC(=O)C(=C(C)N1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	CC1=CC(=O)C(=C(N1)C)c2ccccc2
Canonical SMILES	CACTVS	3.385	CC1=CC(=O)C(=C(C)N1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC1=CC(=O)C(=C(N1)C)c2ccccc2
InChI	InChI	1.03	InChI=1S/C13H13NO/c1-9-8-12(15)13(10(2)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKey	InChI	1.03	OGQGCZKEXJDIHR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	14950490

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