2,4-Dioxo-2,4-dihydro-1H-benzo[d][1,3]oxazine-6-carboxylic acid

• CAS: 77423-13-3
• Catalog Number: ACM77423133
• Category: Other Products
• Molecular Weight: 0

Custom Q&A

What is the IUPAC name of the compound with PubChem CID 12724728?

The IUPAC name of the compound is 2,4-dioxo-1H-3,1-benzoxazine-6-carboxylic acid.

What is the molecular formula of the compound with PubChem CID 12724728?

The molecular formula is C9H5NO5.

What is the molecular weight of the compound with PubChem CID 12724728?

The molecular weight is 207.14 g/mol.

What is the CAS number of the compound with PubChem CID 12724728?

The CAS number is 77423-13-3.

How many hydrogen bond donor counts are there in the compound with PubChem CID 12724728?

There are 2 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound with PubChem CID 12724728?

The XLogP3-AA value is 0.5.

What is the topological polar surface area of the compound with PubChem CID 12724728?

The topological polar surface area is 92.7 Ų.

How many rotatable bond counts are there in the compound with PubChem CID 12724728?

There is 1 rotatable bond count.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

What is the InChIKey of the compound with PubChem CID 12724728?

The InChIKey is RTAAAHDNZMQESJ-UHFFFAOYSA-N.

Synthetic Use

Upstream Synthesis Route 1

• 75-44-5
• 33890-03-8

• 77423-13-3

Reference: [1]Sircar, Jagadish C.; Capiris, Thomas; Kesten, Stephen J.; Herzig, David J.
[Journal of Medicinal Chemistry, 1981, vol. 24, # 6, p. 735 - 742]

Downstream Synthesis Route 1

• 67-56-1
• 77423-13-3

• 41684-07-5

Reference: [1] Patent: US2005/203126, 2005, A1, . Location in patent: Page/Page column 13

Downstream Synthesis Route 2

• 908094-01-9
• 77423-13-3

• 77423-15-5

Reference: [1]Sircar, Jagadish C.; Capiris, Thomas; Kesten, Stephen J.; Herzig, David J.
[Journal of Medicinal Chemistry, 1981, vol. 24, # 6, p. 735 - 742]

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