3-(2-Hydroxy-4-methoxy-phenyl)-acrylic acid
PubChem CID: 12840862
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| Compound Synonyms | (E)-3-(2-Hydroxy-4-methoxyphenyl)acrylic acid, 3-(2-Hydroxy-4-methoxy-phenyl)-acrylic acid, 38489-77-9, 2-Propenoic acid, 3-(2-hydroxy-4-methoxyphenyl)-, SCHEMBL766042, DTXSID801349285, AKOS006280826, (e)-2-hydroxy-4-methoxy cinnamic acid, CS-0369016, H57017, EN300-1829032, (E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKNVEOZIOFMENG-HWKANZROSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.013 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.329 |
| Compound Name | 3-(2-Hydroxy-4-methoxy-phenyl)-acrylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 194.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.095546457142857 |
| Inchi | InChI=1S/C10H10O4/c1-14-8-4-2-7(9(11)6-8)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| Smiles | COC1=CC(=C(C=C1)/C=C/C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Anomala (Plant) Rel Props:Source_db:cmaup_ingredients