4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID (CAS 81454-02-6) — formula C14H13NO5S, molecular weight 307.32; category organic chemicals.
| CAS Number | 81454-02-6 |
|---|---|
| Molecular Formula | C14H13NO5S |
| Molecular Weight | 307.32 |
| LogP | 1 |
| Category | Organic Chemicals |
4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID is a carbon-based organic compound with CAS registry number 81454-02-6 and molecular formula C14H13NO5S (molecular weight 307.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81454-02-6
Its molecular formula C14H13NO5S comprises 14 C, 13 H, 1 N, 5 O, 1 S atoms.
Also known as: 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID · 4-氧-4-[1-(苯磺酰基)-1H-吡咯-3-基]丁酸
Category: organic chemicals
The CAS registry number of 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID is 81454-02-6.
Molecular formula C14H13NO5S, molecular weight 307.32.
It is also registered under: 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID, 4-氧-4-[1-(苯磺酰基)-1H-吡咯-3-基]丁酸.
Category: Organic Chemicals.
Independent reference data for 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID (CAS 81454-02-6), compiled from public chemistry databases.
| CAS 号 | 81454-02-6 |
|---|---|
| PubChem CID | 2764521 |
| 分子式 | C14H13NO5S |
| IUPAC 名称 | 4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoic acid |
| UNII（FDA） | C14H13NO5S |
| Molecular Weight | 307.32 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 307.05144369 |
| Monoisotopic Mass | 307.05144369 |
| Topological Polar Surface Area | 102 |
| Heavy Atom Count | 21 |
4-Oxo-4-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)butanoic acid; 4-oxo-4-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]butanoic acid; RefChem:526167; 882-052-1; 81454-02-6; 4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoic acid; MFCD03791247; C14H13NO5S; 4-oxo-4-[1-(phenylsulfonyl)-1H-pyrrol-3-yl] butanoic acid; 4-[1-(benzenesulfonyl)-1H-pyrrol-3-yl]-4-oxobutanoic acid; 4-Oxo-4-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-butanoic acid; 4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxo-butanoic Acid; DTXSID70377478; AKOS005071309; SB62707; CS-0366800
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
4-氧-4-[1-(苯磺酰基)-1H-吡咯-3-基]丁酸 · CAS 81454-02-6 · C14H13NO5S. UNII C14H13NO5S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.