methyl (Z)-4-(4-methoxyphenyl)but-3-enoate
PubChem CID: 5317257
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| Topological Polar Surface Area | 35.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (Z)-4-(4-methoxyphenyl)but-3-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C12H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ULQOIGCAIFTTRT-ARJAWSKDSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.899 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.547 |
| Compound Name | methyl (Z)-4-(4-methoxyphenyl)but-3-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 206.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5525941999999997 |
| Inchi | InChI=1S/C12H14O3/c1-14-11-8-6-10(7-9-11)4-3-5-12(13)15-2/h3-4,6-9H,5H2,1-2H3/b4-3- |
| Smiles | COC1=CC=C(C=C1)/C=C\CC(=O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients