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Structure

Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci)

CAS
91305-43-0
Catalog Number
ACM91305430
Category
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What is the molecular formula of Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci)?

The molecular formula is C6H6N2O3.

What is the molecular weight of Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci)?

The molecular weight is 154.12 g/mol.

What is the IUPAC name of Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci)?

The IUPAC name is 5,6-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-3,7-dione.

What is the InChI of Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci)?

The InChI is InChI=1S/C6H6N2O3/c9-5-3-1-2-7-6(10)4(3)11-8-5/h1-2H2,(H,7,10)(H,8,9).

What is the InChIKey of Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci)?

The InChIKey is JHUUCKLWHZZKDZ-UHFFFAOYSA-N.

What is the Canonical SMILES of Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci)?

The Canonical SMILES is C1CNC(=O)C2=C1C(=O)NO2.

What is the XLogP3-AA value for Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci)?

The XLogP3-AA value is -0.7.

How many Hydrogen Bond Donor Counts does Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci) have?

It has 2 Hydrogen Bond Donor Counts.

What is the Heavy Atom Count of Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci)?

The Heavy Atom Count is 11.

Is the Compound Canonicalized for Isoxazolo[5,4-c]pyridine-3,7(2H,4H)-dione,5,6-dihydro-(9ci)?

Yes, the compound is canonicalized.

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