5-methoxypyrazine-2-carboxylic acid

• CAS: 40155-42-8
• Catalog Number: ACM40155428
• Category: Pyrazines
• Molecular Weight: 154.1
• Molecular Formula: C6H6N2O3
• Appearance: Light yellow Powder

Custom Q&A

What is the molecular formula of 5-methoxypyrazine-2-carboxylic acid?

The molecular formula is C6H6N2O3.

What is the molecular weight of 5-methoxypyrazine-2-carboxylic acid?

The molecular weight is 154.12 g/mol.

What is the IUPAC name of 5-methoxypyrazine-2-carboxylic acid?

The IUPAC name is 5-methoxypyrazine-2-carboxylic acid.

What is the InChI of 5-methoxypyrazine-2-carboxylic acid?

The InChI is InChI=1S/C6H6N2O3/c1-11-5-3-7-4(2-8-5)6(9)10/h2-3H,1H3,(H,9,10).

What is the InChIKey of 5-methoxypyrazine-2-carboxylic acid?

The InChIKey is YVGVOPNUEFTVQO-UHFFFAOYSA-N.

What is the canonical SMILES of 5-methoxypyrazine-2-carboxylic acid?

The canonical SMILES is COC1=NC=C(N=C1)C(=O)O.

What is the CAS number of 5-methoxypyrazine-2-carboxylic acid?

The CAS number is 40155-42-8.

What is the EC number of 5-methoxypyrazine-2-carboxylic acid?

The EC number is 695-964-8.

What is the XlogP3-AA value of 5-methoxypyrazine-2-carboxylic acid?

The XlogP3-AA value is -0.1.

Is 5-methoxypyrazine-2-carboxylic acid a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 124-41-4
• 36070-80-1

• 40155-42-8

Reference: [1] Patent: WO2015/48507, 2015, A1, . Location in patent: Paragraph 0171

Upstream Synthesis Route 2

• 143250-10-6
• 201230-82-2

• 40155-42-8

Reference: [1] Patent: WO2014/173917, 2014, A1, . Location in patent: Page/Page column 17

Upstream Synthesis Route 3

• 36070-80-1

• 40155-42-8

Reference: [1] Patent: WO2012/98461, 2012, A1, . Location in patent: Page/Page column 86-87

Downstream Synthesis Route 1

• 1262799-35-8
• 40155-42-8

• 1262799-36-9

Reference: [1]Patent: WO2011/9897,2011,A1 .Location in patent: Page/Page column 89

Downstream Synthesis Route 2

• 1200498-01-6
• 40155-42-8

• 1200493-48-6

Reference: [1]Patent: EP2305672,2011,A1 .Location in patent: Page/Page column 82

Downstream Synthesis Route 3

• 1221447-95-5
• 40155-42-8

• 1221447-97-7

Reference: [1]Patent: EP2360155,2011,A1 .Location in patent: Page/Page column 186; 188

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