3-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-2-METHYLBENZOIC ACID (CAS 409353-61-3) — formula C15H15NO3, molecular weight 257.28; category organic chemicals.
| CAS Number | 409353-61-3 |
|---|---|
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.28 |
| LogP | 2.5 |
| Category | Organic Chemicals |
3-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-2-METHYLBENZOIC ACID is a carbon-based organic compound with CAS registry number 409353-61-3 and molecular formula C15H15NO3 (molecular weight 257.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 409353-61-3
Its molecular formula C15H15NO3 comprises 15 C, 15 H, 1 N, 3 O atoms.
Also known as: 3-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-2-METHYLBENZOIC ACID · 3-(3-甲酰基-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-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-2-METHYLBENZOIC ACID is 409353-61-3.
Molecular formula C15H15NO3, molecular weight 257.28.
It is also registered under: 3-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-2-METHYLBENZOIC ACID, 3-(3-甲酰基-2,5-二甲基-1H-吡咯-1-基)-2-甲基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-2-METHYLBENZOIC ACID (CAS 409353-61-3), compiled from public chemistry databases.
| CAS 号 | 409353-61-3 |
|---|---|
| PubChem CID | 801500 |
| 分子式 | C15H15NO3 |
| IUPAC 名称 | 3-(3-formyl-2,5-dimethylpyrrol-1-yl)-2-methylbenzoic acid |
| UNII（FDA） | HMS2698N21 |
| Molecular Weight | 257.28 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 257.10519334 |
| Monoisotopic Mass | 257.10519334 |
| Topological Polar Surface Area | 59.3 |
| Heavy Atom Count | 19 |
409353-61-3; 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoic acid; RefChem:492049; 966-233-3; 3-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-2-methyl-benzoic acid; 3-(3-formyl-2,5-dimethylpyrrol-1-yl)-2-methylbenzoic acid; MLS000714495; SMR000274474; 3-(3-formyl-2,5-dimethyl-1-pyrrolyl)-2-methylbenzoic acid; 3-(3-formyl-2,5-dimethylpyrrolyl)-2-methylbenzoic acid; LQCHZVZBSQAVDA-UHFFFAOYSA-N; Oprea1_169336; Oprea1_385775; cid_801500; CHEMBL1339859; SCHEMBL15329352
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
3-(3-甲酰基-2,5-二甲基-1H-吡咯-1-基)-2-甲基苯甲酸 · CAS 409353-61-3 · C15H15NO3. UNII HMS2698N21.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.