89H

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

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

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count29
Aromatic Bond Count6
2D diagram of 89H

Chemical Component Summary

Name6-(cyclopropylmethoxy)phthalazine-1,4-dione
Systematic Name (OpenEye OEToolkits)6-(cyclopropylmethoxy)phthalazine-1,4-dione
FormulaC12 H10 N2 O3
Molecular Weight230.219
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C1N=NC(=O)c2cc(OCC3CC3)ccc12
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1OCC3CC3)C(=O)N=NC2=O
Canonical SMILESCACTVS3.385 O=C1N=NC(=O)c2cc(OCC3CC3)ccc12
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc2c(cc1OCC3CC3)C(=O)N=NC2=O
InChIInChI1.06 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
InChIKeyInChI1.06 OIWRUONPGXPTOV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 163203938