2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-acetic acid (CAS 5439-51-0) — formula C9H10N4O4, molecular weight 238.20; category organic chemicals.
| CAS Number | 5439-51-0 |
|---|---|
| Molecular Formula | C9H10N4O4 |
| Molecular Weight | 238.20 |
| LogP | -0.5 |
| Category | Organic Chemicals |
2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-acetic acid is a carbon-based organic compound with CAS registry number 5439-51-0 and molecular formula C9H10N4O4 (molecular weight 238.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5439-51-0
Its molecular formula C9H10N4O4 comprises 9 C, 10 H, 4 N, 4 O atoms.
Also known as: 2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-acetic acid · 2,3,6,7-四氢-1,3-二甲基-2,6-二氧代-1H-嘌呤-8-乙酸
Category: organic chemicals
The CAS registry number of 2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-acetic acid is 5439-51-0.
Molecular formula C9H10N4O4, molecular weight 238.20.
It is also registered under: 2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-acetic acid, 2,3,6,7-四氢-1,3-二甲基-2,6-二氧代-1H-嘌呤-8-乙酸.
Category: Organic Chemicals.
Independent reference data for 2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-acetic acid (CAS 5439-51-0), compiled from public chemistry databases.
| CAS 号 | 5439-51-0 |
|---|---|
| PubChem CID | 95035 |
| 分子式 | C9H10N4O4 |
| IUPAC 名称 | 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid |
| UNII（FDA） | ST51047697 |
| Molecular Weight | 238.20 |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.07020481 |
| Monoisotopic Mass | 238.07020481 |
| Topological Polar Surface Area | 107 |
| Heavy Atom Count | 17 |
Theophylline-8-acetic acid; 5439-51-0; NSC 14365; BRN 0264650; DTXSID00202764; 0-26-00-00575 (Beilstein Handbook Reference); 1H-Purine-8-acetic acid, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-; RefChem:189203; DTXCID30125255; 1H-Purine-8-acetic acid, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-(9CI); 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid; 2-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetic acid; 8-Theophyllineacetic acid; Theophyllin-8-essigsaure; SCHEMBL340194; NSC14365
2,3,6,7-四氢-1,3-二甲基-2,6-二氧代-1H-嘌呤-8-乙酸 · CAS 5439-51-0 · C9H10N4O4. UNII ST51047697.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.