| Chemical & Physical Properties | |
|---|---|
| CAS Number | 820245-58-7 |
| Catalog No. | 2A-9090968 |
| Chinese Name | 3-(2,5-DIMETHYLPYRROL-1-YL)BENZOICACIDSODIUMSALT |
| Synonyms | Benzoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-, sodium salt; 3-(2,5-DIMETHYLPYRROL-1-YL)BENZOICACIDSODIUMSALT |
| Molecular Formula | C13H13NNaO2 |
| Molecular Weight | 300.37 |
| Purity | ≥90 (HPLC) |
| Appearance | solid |
| PubChem ID | 3185748 |
| MDL Number | MFCD01917473 |
| SMILES | Fc1ccc(cc1)[n]2c(c(cc2C)C(=O)CN3CCCC3)C |
| InChI | 1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3 |
| InChI Key | JUWDSDKJBMFLHE-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/90968_1_820245_58_7.pdf |
| Transport Info | Product name: Sodium 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
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