3-ethyl 4,5-dihydro-5-oxo-1-(2-sulphophenyl)-1H-pyrazole-3-carboxylate (CAS 71401-58-6) — formula C12H12N2O6S, molecular weight 312.30; category organic chemicals.
| CAS Number | 71401-58-6 |
|---|---|
| Molecular Formula | C12H12N2O6S |
| Molecular Weight | 312.30 |
| LogP | 0.3 |
| Category | Organic Chemicals |
3-ethyl 4,5-dihydro-5-oxo-1-(2-sulphophenyl)-1H-pyrazole-3-carboxylate is a carbon-based organic compound with CAS registry number 71401-58-6 and molecular formula C12H12N2O6S (molecular weight 312.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 71401-58-6
Its molecular formula C12H12N2O6S comprises 12 C, 12 H, 2 N, 6 O, 1 S atoms.
Also known as: 3-ethyl 4,5-dihydro-5-oxo-1-(2-sulphophenyl)-1H-pyrazole-3-carboxylate · 4,5-二氢-5-氧代-1-(2-磺基苯基)-1H-吡唑-3-甲酸3-乙酯
Category: organic chemicals
The CAS registry number of 3-ethyl 4,5-dihydro-5-oxo-1-(2-sulphophenyl)-1H-pyrazole-3-carboxylate is 71401-58-6.
Molecular formula C12H12N2O6S, molecular weight 312.30.
It is also registered under: 3-ethyl 4,5-dihydro-5-oxo-1-(2-sulphophenyl)-1H-pyrazole-3-carboxylate, 4,5-二氢-5-氧代-1-(2-磺基苯基)-1H-吡唑-3-甲酸3-乙酯.
Category: Organic Chemicals.
Independent reference data for 3-ethyl 4,5-dihydro-5-oxo-1-(2-sulphophenyl)-1H-pyrazole-3-carboxylate (CAS 71401-58-6), compiled from public chemistry databases.
| CAS 号 | 71401-58-6 |
|---|---|
| PubChem CID | 3018108 |
| 分子式 | C12H12N2O6S |
| IUPAC 名称 | 2-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid |
| UNII（FDA） | NS00062482 |
| Molecular Weight | 312.30 |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 312.04160728 |
| Monoisotopic Mass | 312.04160728 |
| Topological Polar Surface Area | 122 |
| Heavy Atom Count | 21 |
EINECS 275-365-4; 71401-58-6; 3-Ethyl 4,5-dihydro-5-oxo-1-(2-sulphophenyl)-1H-pyrazole-3-carboxylate; DTXSID70991739; ZSUGVFBYVDWDDQ-UHFFFAOYSA-N; 2-[3-(Ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid; NS00062482
4,5-二氢-5-氧代-1-(2-磺基苯基)-1H-吡唑-3-甲酸3-乙酯 · CAS 71401-58-6 · C12H12N2O6S. UNII NS00062482.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.