89H

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

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

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1 entries where 89H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of 89H

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Chemical Component Summary
Name	6-(cyclopropylmethoxy)phthalazine-1,4-dione
Systematic Name (OpenEye OEToolkits)	6-(cyclopropylmethoxy)phthalazine-1,4-dione
Formula	C₁₂ H₁₀ N₂ O₃
Molecular Weight	230.219
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1N=NC(=O)c2cc(OCC3CC3)ccc12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1OCC3CC3)C(=O)N=NC2=O
Canonical SMILES	CACTVS	3.385	O=C1N=NC(=O)c2cc(OCC3CC3)ccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1OCC3CC3)C(=O)N=NC2=O
InChI	InChI	1.06	InChI=1S/C12H10N2O3/c15-11-9-4-3-8(17-6-7-1-2-7)5-10(9)12(16)14-13-11/h3-5,7H,1-2,6H2
InChIKey	InChI	1.06	OIWRUONPGXPTOV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	163203938

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