4-Hydroxy-3-methylcinnamic acid
PubChem CID: 5319676
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| Compound Synonyms | 4-HYDROXY-3-METHYLCINNAMIC ACID, 19780-88-2, (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enoic acid, (E)-3-(4-hydroxy-3-methylphenyl)acrylic Acid, SCHEMBL471934, AKOS006276932, 377091-82-2 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NBGWMNZWLGXONC-HWKANZROSA-N |
| Fcsp3 | 0.1 |
| Logs | -1.929 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.634 |
| Compound Name | 4-Hydroxy-3-methylcinnamic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.3387482615384614 |
| Inchi | InChI=1S/C10H10O3/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| Smiles | CC1=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 Clausena Excavata (Plant) Rel Props:Source_db:cmaup_ingredients