3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid (CAS 83141-00-8) — formula C14H15NO2, molecular weight 229.27; category organic chemicals.
| CAS Number | 83141-00-8 |
|---|---|
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.27 |
| LogP | 3 |
| Category | Organic Chemicals |
3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid is a carbon-based organic compound with CAS registry number 83141-00-8 and molecular formula C14H15NO2 (molecular weight 229.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 83141-00-8
Its molecular formula C14H15NO2 comprises 14 C, 15 H, 1 N, 2 O atoms.
Also known as: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid · 3-（2,5-二甲基-1H-吡咯-1-基）-2-甲基苯甲酸
Category: organic chemicals
The CAS registry number of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid is 83141-00-8.
Molecular formula C14H15NO2, molecular weight 229.27.
It is also registered under: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid, 3-（2,5-二甲基-1H-吡咯-1-基）-2-甲基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid (CAS 83141-00-8), compiled from public chemistry databases.
| CAS 号 | 83141-00-8 |
|---|---|
| PubChem CID | 776834 |
| 分子式 | C14H15NO2 |
| IUPAC 名称 | 3-(2,5-dimethylpyrrol-1-yl)-2-methylbenzoic acid |
| UNII（FDA） | ST51011493 |
| Molecular Weight | 229.27 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 229.110278721 |
| Monoisotopic Mass | 229.110278721 |
| Topological Polar Surface Area | 42.2 |
| Heavy Atom Count | 17 |
3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid; 83141-00-8; DTXSID70974941; 5953-82-2; RefChem:490129; DTXCID101402357; 801-094-3; 3-(2,5-dimethylpyrrol-1-yl)-2-methylbenzoic acid; MFCD02085007; 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-methyl-benzoic acid; CBMicro_001112; Oprea1_171354; 3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoicacid; CHEMBL3188472; SCHEMBL11166701; SMSF0010579
| 已通报的危害声明 | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
3-（2,5-二甲基-1H-吡咯-1-基）-2-甲基苯甲酸 · CAS 83141-00-8 · C14H15NO2. UNII ST51011493.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.