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Structure

1,2,4-Triazine-6-carboxaldehyde,2,3,4,5-tetrahydro-3,5-dioxo-(9ci)

CAS
97776-60-8
Catalog Number
ACM97776608
Category
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What is the molecular formula of 1,2,4-Triazine-6-carboxaldehyde?

The molecular formula of 1,2,4-Triazine-6-carboxaldehyde is C4H3N3O3.

When was 1,2,4-Triazine-6-carboxaldehyde created in PubChem?

1,2,4-Triazine-6-carboxaldehyde was created in PubChem on December 5, 2007.

What is the Canonical SMILES of 1,2,4-Triazine-6-carboxaldehyde?

The Canonical SMILES of 1,2,4-Triazine-6-carboxaldehyde is C(=O)C1=NNC(=O)NC1=O.

How is the IUPAC name of 1,2,4-Triazine-6-carboxaldehyde computed?

The IUPAC name of 1,2,4-Triazine-6-carboxaldehyde is computed by LexiChem.

What is the molecular weight of 1,2,4-Triazine-6-carboxaldehyde?

The molecular weight of 1,2,4-Triazine-6-carboxaldehyde is 141.09 g/mol.

How many hydrogen bond donor counts does 1,2,4-Triazine-6-carboxaldehyde have?

1,2,4-Triazine-6-carboxaldehyde has 2 hydrogen bond donor counts.

What is the InChIKey of 1,2,4-Triazine-6-carboxaldehyde?

The InChIKey of 1,2,4-Triazine-6-carboxaldehyde is FZKMFXULQULAEU-UHFFFAOYSA-N.

How many covalently-bonded units does 1,2,4-Triazine-6-carboxaldehyde have?

1,2,4-Triazine-6-carboxaldehyde has 1 covalently-bonded unit.

What is the XLogP3 value of 1,2,4-Triazine-6-carboxaldehyde?

The XLogP3 value of 1,2,4-Triazine-6-carboxaldehyde is -0.4.

Is 1,2,4-Triazine-6-carboxaldehyde considered canonicalized in PubChem?

Yes, 1,2,4-Triazine-6-carboxaldehyde is considered canonicalized in PubChem.

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