2-(pyrazin-2-yl)acetic acid

• CAS: 140914-89-2
• Catalog Number: ACM140914892
• Category: Pyrazines
• Molecular Weight: 138.0
• Molecular Formula: C6H6N2O2
• Appearance: White powder

Custom Q&A

What is the molecular formula of 2-(pyrazin-2-yl)acetic acid?

The molecular formula of 2-(pyrazin-2-yl)acetic acid is C6H6N2O2.

What is the molecular weight of 2-(pyrazin-2-yl)acetic acid?

The molecular weight of 2-(pyrazin-2-yl)acetic acid is 138.12 g/mol.

What is the IUPAC name of 2-(pyrazin-2-yl)acetic acid?

The IUPAC name of 2-(pyrazin-2-yl)acetic acid is 2-pyrazin-2-ylacetic acid.

What is the InChI of 2-(pyrazin-2-yl)acetic acid?

The InChI of 2-(pyrazin-2-yl)acetic acid is InChI=1S/C6H6N2O2/c9-6(10)3-5-4-7-1-2-8-5/h1-2,4H,3H2,(H,9,10).

What is the InChIKey of 2-(pyrazin-2-yl)acetic acid?

The InChIKey of 2-(pyrazin-2-yl)acetic acid is PSDADIDIQCPEQC-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-(pyrazin-2-yl)acetic acid?

The Canonical SMILES of 2-(pyrazin-2-yl)acetic acid is C1=CN=C(C=N1)CC(=O)O.

How many hydrogen bond donor counts does 2-(pyrazin-2-yl)acetic acid have?

2-(pyrazin-2-yl)acetic acid has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-(pyrazin-2-yl)acetic acid have?

2-(pyrazin-2-yl)acetic acid has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-(pyrazin-2-yl)acetic acid?

The topological polar surface area of 2-(pyrazin-2-yl)acetic acid is 63.1 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 109-08-0
• 124-38-9

• 140914-89-2

Reference: [1] Chemistry - A European Journal, 2012, vol. 18, # 51, p. 16339 - 16348

Upstream Synthesis Route 2

• 109-08-0
• 124-38-9

• 140914-89-2

Reference: [1]Chemistry - A European Journal,2012,vol. 18,p. 16339 - 16348

Downstream Synthesis Route 1

• 1419182-49-2
• 140914-89-2

• 1419182-92-5

Reference: [1]Chemistry - A European Journal,2012,vol. 18,p. 16339 - 16348

Downstream Synthesis Route 2

• 140914-89-2
• 1280210-88-9

• 1280210-96-9

Reference: [1]Patent: WO2011/37793,2011,A1 .Location in patent: Page/Page column 54-55

* For details of the synthesis route, please refer to the original source to ensure accuracy.