8BW

6-(cyclobutylmethoxy)phthalazine-1,4-dione

Created:	2021-10-07
Last modified:	2022-08-22

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1 entries where 8BW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of 8BW

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Chemical Component Summary
Name	6-(cyclobutylmethoxy)phthalazine-1,4-dione
Systematic Name (OpenEye OEToolkits)	6-(cyclobutylmethoxy)phthalazine-1,4-dione
Formula	C₁₃ H₁₂ N₂ O₃
Molecular Weight	244.246
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1N=NC(=O)c2cc(OCC3CCC3)ccc12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1OCC3CCC3)C(=O)N=NC2=O
Canonical SMILES	CACTVS	3.385	O=C1N=NC(=O)c2cc(OCC3CCC3)ccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1OCC3CCC3)C(=O)N=NC2=O
InChI	InChI	1.06	InChI=1S/C13H12N2O3/c16-12-10-5-4-9(18-7-8-2-1-3-8)6-11(10)13(17)15-14-12/h4-6,8H,1-3,7H2
InChIKey	InChI	1.06	NWOORGOMYQAWAE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	163203937

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