IUPAC Name: | 2-cyanobenzoic acid |
Description: | 2-Cyanobenzoic acid (CAS# 3839-22-3) is used in preparation of mannose-binding lectin (MBL)-assocated serine protease (MASP) inhibitory peptides and cyclic peptides and uses thereof. |
Molecular Weight: | 147.13 |
Molecular Formula: | C8H5NO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C#N)C(=O)O |
InChI: | InChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11) |
InChI Key: | DTNSDCJFTHMDAK-UHFFFAOYSA-N |
Boiling Point: | 341.9 °C at 760 mmHg |
Melting Point: | 212 °C (lit.) |
Purity: | 95 % |
Density: | 1.32 g/cm3 |
Appearance: | Off-white needles |
MDL: | MFCD00045796 |
LogP: | 1.25648 |
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Related Functional Groups
Carbonyl Compounds
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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