Determine the necessary mass, volume, or concentration for preparing a solution.
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Synonyms | Agaricinic AcidAgaricinic Acid | DTXCID0026705 | NCGC00167547-01 | EINECS 211-566-5 | L003754 | alpha-cetyl citric acid | AGARIC ACID [WHO-DD] | 2-Hydroxynonadecane-1,2,3-tricarboxylic acid | hexadecylcitric acid | AGARICINUM [HPUS] | n-Hexadecylcitric ac |
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Storage Temp | Room temperature |
Shipped In | Normal |
pKa | pKa: 2.93 (Predicted) |
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IUPAC Name | 2-hydroxynonadecane-1,2,3-tricarboxylic acid |
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INCHI | InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28) |
InChi Key | HZLCGUXUOFWCCN-UHFFFAOYSA-N |
Canonical SMILES | CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Isomeric SMILES | CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O |
WGK Germany | 3 |
RTECS | RA5365000 |
PubChem CID | 12629 |
Molecular Weight | 416.55 |
Enter Lot Number to search for COA:
Refractive Index | n20D1.50 (Predicted) |
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Boil Point(°C) | ~509.3° C at 760 mmHg (Predicted) |
Melt Point(°C) | 138° C |
WGK Germany | 3 |
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RTECS | RA5365000 |
Merck Index | 0.7125 |