Phenol,3- -,citrate
3-(1-butyl-3-propylpyrrolidin-3-yl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Phenol,3- -,citrate|3-(1-Butyl-3-propyl-3-pyrrolidinyl)phenol citrate|Phenol, 3-(1-butyl-3-propyl-3-pyrrolidinyl)-, citrate|Pyrrolidine, 1-butyl-3-(m-hydroxyphenyl)-3-propyl-, citrate|Phenol,3-(1-butyl-3-propyl-3-pyrrolidinyl)-,citrate|2-Hydroxypropane-1,2,3-tricarboxylic acid--3-(1-butyl-3-propylpyrrolidin-3-yl)phenol (1/1)|3-(1-butyl-3-propylpyrrolidin-3-yl)phenol 2-hydroxypropane-1,2,3-tricarboxylate(1:1)|3-(1-butyl-3-propylpyrrolidin-3-yl)phenol,2-hydroxypropane-1,2,3-tricarboxylic acid|3-(1-butyl-3-propylpyrrolidin-3-yl)phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid|Phenol, 3-(1-butyl-3-propyl-3-pyrrolidinyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
| Molecular Formula | C23H35NO8 |
|---|---|
| Molecular Weight | 453.23627 g/mol |
| LogP | 2.6874 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 453.23627 |
| Monoisotopic Mass | 453.23627 |
| Heavy Atoms | 32 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 4345-44-2 |
|---|---|
| SMILES | CCCCN1CCC(C1)(CCC)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | GWMRNMIERPZKMM-UHFFFAOYSA-N |
Product Overview
Phenol,3- -,citrate (CAS 4345-44-2), with molecular formula C23H35NO8 and molecular weight 453.23627 g/mol. IUPAC: 3-(1-butyl-3-propylpyrrolidin-3-yl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid.
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