Pubchem ID | 21908873 |
---|---|
CAS | 68131-04-4 |
IUPAC name | disodium;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate |
Synonyms | - |
Categories | Boiler water additive |
SMILES | C1C2C=CC1C(C2C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
InCheykey | InChI=1S/C9H10O4.2Na/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;;/h1-2,4-7H,3H2,(H,10,11)(H,12,13);;/q;2*+1/p-2 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
226.139 | 0 | 4 | 0 | 80.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Very Low Absorption | Too Soluble | Weaker / Non binder | Undefined | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |