Ferulic Acid-d3
PubChem CID: 45039253
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| Compound Synonyms | Ferulic Acid-d3, 860605-59-0, (E)-Ferulic acid-d3, 4-HYDROXY-3-METHOXY-D3-CINNAMIC ACID, (E)-3-[4-hydroxy-3-(trideuteriomethoxy)phenyl]prop-2-enoic acid, Trans-4-hydroxy-3-methoxy-d3-cinnamic acid, 1135-24-6 unlabeled, TRANS-FERULIC ACID-D3, HY-N0060BS, 3-[4-Hydroxy-3-(methoxy-d3)phenyl]-2-propenoic Acid, MS-23066, DB-299318, CS-0255806, F91012, 3-[4-Hydroxy-(3 -methoxy-d3)phenyl)acrylic Acid |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 3.0 |
| Molecular Complexity | 224.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-[4-hydroxy-3-(trideuteriomethoxy)phenyl]prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KSEBMYQBYZTDHS-CGLOQUBRSA-N |
| Fcsp3 | 0.1 |
| Logs | -3.113 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.436 |
| Compound Name | Ferulic Acid-d3 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 197.077 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 197.077 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 197.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.0671095502136567 |
| Inchi | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+/i1D3 |
| Smiles | [2H]C([2H])([2H])OC1=C(C=CC(=C1)/C=C/C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients