3-(1,3-benzodioxol-5-yl)-1H-pyrrole-2,4-dicarboxylic acid
Modify Date: 2025-09-15 17:53:49
3-(1,3-benzodioxol-5-yl)-1H-pyrrole-2,4-dicarboxylic acid structure
|
Common Name | 3-(1,3-benzodioxol-5-yl)-1H-pyrrole-2,4-dicarboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 63761-12-6 | Molecular Weight | 275.21400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H9NO6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 3-(1,3-benzodioxol-5-yl)-1H-pyrrole-2,4-dicarboxylic acid |
|---|
| Molecular Formula | C13H9NO6 |
|---|---|
| Molecular Weight | 275.21400 |
| Exact Mass | 275.04300 |
| PSA | 108.85000 |
| LogP | 1.80680 |
| InChIKey | VKQCGSJLZIWXNG-UHFFFAOYSA-N |
| SMILES | O=C(O)c1c[nH]c(C(=O)O)c1-c1ccc2c(c1)OCO2 |
|
~90%
3-(1,3-benzodio... CAS#:63761-12-6 |
| Literature: Sakai; Suzuki; Nunami; Yoneda; Onoda; Iwasawa Chemical and pharmaceutical bulletin, 1980 , vol. 28, # 8 p. 2384 - 2393 |
|
~%
3-(1,3-benzodio... CAS#:63761-12-6 |
| Literature: Sakai; Suzuki; Nunami; Yoneda; Onoda; Iwasawa Chemical and pharmaceutical bulletin, 1980 , vol. 28, # 8 p. 2384 - 2393 |
![3-benzo[1,3]dioxol-5-yl-pyrrole-2,4-dicarboxylic acid dimethyl ester structure](https://image.chemsrc.com/caspic/198/61726-71-4.png)
