Cinnamic Acid Isopropyl Ester
PubChem CID: 24521
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| Compound Synonyms | Cinnamic Acid Isopropyl Ester, propan-2-yl 3-phenylprop-2-enoate, DTXSID3064809, Isopropylcinnamate, RGACABDFLVLVCT-UHFFFAOYSA-N, AKOS017265329, SB66426, DB-002762, C1779 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propan-2-yl 3-phenylprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C12H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RGACABDFLVLVCT-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.983 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.626 |
| Compound Name | Cinnamic Acid Isopropyl Ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 190.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2272432571428573 |
| Inchi | InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3 |
| Smiles | CC(C)OC(=O)C=CC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients