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| IUPAC Name: | 3-methoxycarbonyl-5-nitrobenzoic acid |
| Description: | mono-Methyl 5-nitroisophthalate (CAS# 1955-46-0) is used in the preparation of heterotrifunctional crosslinkers for multiple bioconjugation with peptides and also in the synthesis of histone demethylase LSD1 inhibitors that target cancer cells. |
| Molecular Weight: | 225.15 |
| Molecular Formula: | C9H7NO6 |
| Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-] |
| InChI: | InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12) |
| InChI Key: | ZCRNIIJXDRYWDU-UHFFFAOYSA-N |
| Boiling Point: | 419.7 ℃ at 760 mmHg |
| Melting Point: | 181-185 ℃ |
| Purity: | 98 % |
| Density: | 1.484 g/cm3 |
| Appearance: | Very slightly yellow powder. |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00009793 |
| LogP: | 1.60280 |
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Carbonyl Compounds
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
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