sodium
PubChem CID: 23690535
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| Compound Synonyms | AKOS015963237 |
|---|---|
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Class | Cinnamic acids and derivatives |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Hydroxycinnamic acids and derivatives |
| Molecular Formula | C10H9NaO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NCTHNHPAQAVBEB-FBZPGIPVSA-M |
| Fcsp3 | 0.1 |
| Logs | -1.761 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.724 |
| Synonyms | Sodium 4-[(1Z)-2-carboxyeth-1-en-1-yl]-2-methoxybenzen-1-olic acid, Sodium ferulic acid |
| Compound Name | sodium, (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.04 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.04 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 216.17 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C10H10O4.Na/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13, /h2-6,11H,1H3,(H,12,13), /q, +1/p-1/b5-3-, |
| Smiles | COC1=C(C=CC(=C1)/C=C\C(=O)[O-])O.[Na+] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Hydroxycinnamic acids |
- 1. Outgoing r'ship
FOUND_INto/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients