3-ethyl 4,5-dihydro-1-(4-methyl-2-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylate (CAS 83929-42-4) — formula C13H14N2O6S, molecular weight 326.33; category organic chemicals.
| CAS Number | 83929-42-4 |
|---|---|
| Molecular Formula | C13H14N2O6S |
| Molecular Weight | 326.33 |
| LogP | 0.7 |
| Category | Organic Chemicals |
3-ethyl 4,5-dihydro-1-(4-methyl-2-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylate is a carbon-based organic compound with CAS registry number 83929-42-4 and molecular formula C13H14N2O6S (molecular weight 326.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 83929-42-4
Its molecular formula C13H14N2O6S comprises 13 C, 14 H, 2 N, 6 O, 1 S atoms.
Also known as: 3-ethyl 4,5-dihydro-1-(4-methyl-2-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylate · 4,5-二氢-1-(4-甲基-2-磺基苯基)-5-氧代-1H-吡唑-3-甲酸3-乙酯
Category: organic chemicals
The CAS registry number of 3-ethyl 4,5-dihydro-1-(4-methyl-2-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylate is 83929-42-4.
Molecular formula C13H14N2O6S, molecular weight 326.33.
It is also registered under: 3-ethyl 4,5-dihydro-1-(4-methyl-2-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylate, 4,5-二氢-1-(4-甲基-2-磺基苯基)-5-氧代-1H-吡唑-3-甲酸3-乙酯.
Category: Organic Chemicals.
Independent reference data for 3-ethyl 4,5-dihydro-1-(4-methyl-2-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylate (CAS 83929-42-4), compiled from public chemistry databases.
| CAS 号 | 83929-42-4 |
|---|---|
| PubChem CID | 3019489 |
| 分子式 | C13H14N2O6S |
| IUPAC 名称 | 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)-5-methylbenzenesulfonic acid |
| UNII（FDA） | EE9V6HG2QR |
| Molecular Weight | 326.33 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 326.05725734 |
| Monoisotopic Mass | 326.05725734 |
| Topological Polar Surface Area | 122 |
| Heavy Atom Count | 22 |
83929-42-4; EINECS 281-338-8; 3-Ethyl 4,5-dihydro-1-(4-methyl-2-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylate; EE9V6HG2QR; DTXSID50232819; FYBOEGLGOBUULR-UHFFFAOYSA-N; 2-[3-(ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-5-methylbenzene-1-sulfonic acid; NS00038362; 3-ETHYL 4,5-DIHYDRO-1-(4-METHYL-2-SULFOPHENYL)-5-OXO-1H-PYRAZOLE-3-CARBOXYLATE; 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(4-methyl-2-sulfophenyl)-5-oxo-, 3-ethyl ester
4,5-二氢-1-(4-甲基-2-磺基苯基)-5-氧代-1H-吡唑-3-甲酸3-乙酯 · CAS 83929-42-4 · C13H14N2O6S. UNII EE9V6HG2QR.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.