| Phytochemical Name : cis-Aconitic acid |
| PCNDIDC0186 |
| Pubchem CID : 643757 |
| Molecular formula: C6H6O6 |
| Canonical SMILES : C(C(=CC(=O)O)C(=O)O)C(=O)O |
Synonymes : cis-Aconitic acid|585-84-2|ACONITIC ACID|cis-aconitate|Achilleic acid|Citridinic acid|Equisetic acid|Pyrocitric acid|Achilleaic acid|Citridic acid|(Z)-prop-1-ene-1,2,3-tricarboxylic acid|3-Carboxyglutaconic acid|(Z)-Aconitic acid|(1Z)-prop-1-ene-1,2,3-tricarboxylic acid|cis-Aconic acid|cis-Oxaloacetic acid|(Z)-1-Propene-1,2,3-tricarboxylic acid|499-12-7|1-Propene-1,2,3-tricarboxylic acid|Aconitic acid, cis-|Glutaconic acid, 3-carboxy-|Aconitic acid, (Z)-|2-Pentenedioic acid, 3-carboxy-|cis-Aconitum acid|NSC 7616|3-Carboxy-2-pentenedioic acid|FEMA No. 2010|CCRIS 2507|HSDB 635|cis-1-propene-1,2,3-tricarboxylic acid|1-Propene-1,2,3-tricarboxylic acid, cis-|1-Propene-1,2,3-tricarboxylic acid, (1Z)-|EINECS 207-877-0|Propene-1,2,3-tricarboxylic acid|UNII-OF5471ZHRR|cis-Propene-1,2,3-tricarboxylic acid|prop-1-ene-1,2,3-tricarboxylic acid|aconitate|OF5471ZHRR|UNII-93371T1BXP|AI3-14615|CHEMBL347285|CHEBI:32805|propene-1,2,3-tricarboxylicacid|1,2,3-Propenetricarboxylic acid|EINECS 209-564-4|1,cis-2,3-Propenetricarboxylic acid|NSC 227901|NSC-227901|NSC7616|MFCD00063184|1-Propene-1,3-tricarboxylic acid|NSC-7616|cis-Aconate|cis-Oxaloacetate|Z-Aconitic acid|cis-aconitic-acid|Cls-Aconitic acid|(Z)-Aconitate|NCGC00182966-01|hydrogen cis-aconitate|C6-H6-O6|WLN: QV1YVQU1VQ|bmse000705|SCHEMBL16935|cis-Aconitic acid, >=98%|1,3-Propenetricarboxylic acid|1-cis-2,3-Propenetricarboxylate|1-propene-1,2,3-tricarboxylate|DTXSID30883449|NCI7616|93371T1BXP|FEMA NO. 2010, Z-|1-cis-2,3-Propenetricarboxylic acid|BBL012090|BDBM50036222|CCG-37620|NSC227901|s4939|STK077565|cis-1-Propene-1,2,3-tricarboxylate|AKOS001426595|(Z)-1-Propene-1,2,3-tricarboxylate|(1Z)-1-Propene-1,2,3-tricarboxylate|NCGC00182966-03|(1Z)-Propene-1,2,3-tricarboxylic acid|1-Propene-1,3-tricarboxylic acid, cis-|AS-81537|1-Propene-1,3-tricarboxylic acid, (Z)-|1-propene-cis(1,2),3-tricarboxylic acid|(1Z)-1-Propene-1,2,3-tricarboxylic acid|LS-123547|1-Propene-1,2,3-tricarboxylic acid, trans|1-Propene-1,2,3-tricarboxylic acid, (Z)-|EN300-18352|C00417|C16034|1,2,3-PROPENETRICARBOXYLIC ACID,(TRANS)|AB01333406-02|Q27104226|Z57204893|70398F21-6D08-4F6F-8E72-7AD7EFC52A8B |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.130 |
| Log Po/w (XLOGP3) : -0.970 |
| Log Po/w (WLOGP) : -0.440 |
| Log Po/w (MLOGP) : -0.770 |
| Log Po/w (SILICOS-IT) : -1.100 |
| Consensus Log Po/w : -0.680 |