Cinnamic Acid Cinnamyl Ester
PubChem CID: 31224
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| Compound Synonyms | Cinnamic Acid Cinnamyl Ester, 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester, Cinnamyl cinnamate, mixture of isomers, DTXSID7047647, 3-phenylprop-2-en-1-yl 3-phenylprop-2-enoate, CBDivE_001756, CHEMBL3186867, 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester, Cinnamic acid, cinnamyl este, AKOS025244100, DB-041681, 3-Phenylallyl cinnamate, 3-Phenyl-2-propen-1-yl 3-phenyl propenoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-phenylprop-2-enyl 3-phenylprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C18H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NQBWNECTZUOWID-UHFFFAOYSA-N |
| Fcsp3 | 0.0555555555555555 |
| Logs | -4.898 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.308 |
| Compound Name | Cinnamic Acid Cinnamyl Ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.3303088 |
| Inchi | InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2 |
| Smiles | C1=CC=C(C=C1)C=CCOC(=O)C=CC2=CC=CC=C2 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all