phenol, 2-methoxy-4-(1-propenyl)-, sodium salt
PubChem CID: 23668813
Connections displayed (default: 10).
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| Compound Synonyms | Phenol, 2-methoxy-4-(1-propenyl)-, sodium salt, DTXSID9069970, 63661-65-4, DTXCID9044033, NS00087959 |
|---|---|
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 159.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | sodium, 2-methoxy-4-prop-1-enylphenolate |
| Prediction Hob | 1.0 |
| Molecular Formula | C10H11NaO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKPCFEKMDDAMPN-UHFFFAOYSA-M |
| Fcsp3 | 0.2 |
| Logs | -2.37 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.878 |
| Compound Name | phenol, 2-methoxy-4-(1-propenyl)-, sodium salt |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.066 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.066 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 186.18 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C10H12O2.Na/c1-3-4-8-5-6-9(11)10(7-8)12-2, /h3-7,11H,1-2H3, /q, +1/p-1 |
| Smiles | CC=CC1=CC(=C(C=C1)[O-])OC.[Na+] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cananga Odorata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Juniperus Scopulorum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients