Methyl 3-phenylprop-2-enoate
PubChem CID: 7644
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| Compound Synonyms | 2-Propenoic acid, 3-phenyl-, methyl ester, methyl 3-phenylprop-2-enoate, Monomethylcinnamat, Methyl ester of Cinnamic acid, CHEMBL3560502, AKOS028109958, SB40769, DB-014887, Methyl 3-phenyl propenoate, 3-Phenyl-2-propenoic acid methyl ester, Methyl E/Z-cinnamate, 3-Phenyl-2-propenoic acid methyl ester, 3-Phenylacrylic acid methyl ester, Methyl 3-phenyl-2-propenoate, Methyl 3-phenacrylate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3-phenylprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C10H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCRCUPLGCSFEDV-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.425 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.0 |
| Compound Name | Methyl 3-phenylprop-2-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.6681656000000005 |
| Inchi | InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3 |
| Smiles | COC(=O)C=CC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all