SODIUM HUMATE
General Information
| Mainterm | SODIUM HUMATE |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 68131-04-4 |
| Regnum |
173.310 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 21908873 |
| IUPAC Name | disodium;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate |
| InChI | 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 |
| InChI Key | HMGUIQPKFUZDPV-UHFFFAOYSA-L |
| Canonical SMILES | C1C2C=CC1C(C2C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Molecular Formula | C9H8Na2O4 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 226.139 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 255.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B w O D A A A A A A A A A A A A A A A A A A A Y I A A A A g A A A A A A A A A A A A A A A A G g A A A A A A D Q C A g A A A C A A A A A C I A C D S C A A A A A A g A A A I C A E A A A g A A B I A A Q A A A A A E g A A I A A P L y D C O g A A A A A A A A A A A A A A A A A A A A Q A A C A A A A A = = |
| Topological Polar Surface Area | 80.3 |
| Monoisotopic Mass | 226.022 |
| Exact Mass | 226.022 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dicarboxylic acids and derivatives |
| Alternative Parents | |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
From ClassyFire