methyl (2E,4E,6E)-7-phenyl-2,4,6-heptatrienoate
PubChem CID: 13399143
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| Compound Synonyms | SCHEMBL15164766, 7-Phenyl-hepta-2,4,6-trienoic acid methyl ester, methyl (2E,4E,6E)-7-phenyl-2,4,6-heptatrienoate, (2E,4E,6E)-7-phenyl-hepta-2,4,6-trienoic acid methyl ester |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (2E,4E,6E)-7-phenylhepta-2,4,6-trienoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C14H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HZRVHZNFPGTNHI-PMHXHJSWSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.813 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.156 |
| Compound Name | methyl (2E,4E,6E)-7-phenyl-2,4,6-heptatrienoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.7115367999999997 |
| Inchi | InChI=1S/C14H14O2/c1-16-14(15)12-8-3-2-5-9-13-10-6-4-7-11-13/h2-12H,1H3/b3-2+,9-5+,12-8+ |
| Smiles | COC(=O)/C=C/C=C/C=C/C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Louvelii (Plant) Rel Props:Source_db:cmaup_ingredients