Methyl (2Z)-3-(4-methoxyphenyl)-2-propenoate
PubChem CID: 1712659
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| Compound Synonyms | 19310-29-3, cis(Z)-p-Methoxymethylcinnamate, methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate, Methyl p-methoxycinnamate, cis, 3-(4-methoxy-phenyl)-acrylic acid methyl ester, Methyl (2Z)-3-(4-methoxyphenyl)-2-propenoate, cis-Methyl p-methoxycinnamate, methyl (z)-p-methoxycinnamate, (Z)-Methyl-p-methoxycinnamate, methyl (z)-4-methoxycinnamate, VEZIKIAGFYZTCI-YVMONPNESA-N, 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester, cis, 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester, (Z)- |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C11H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEZIKIAGFYZTCI-YVMONPNESA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.735 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.575 |
| Compound Name | Methyl (2Z)-3-(4-methoxyphenyl)-2-propenoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 192.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9811696571428565 |
| Inchi | InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5- |
| Smiles | COC1=CC=C(C=C1)/C=C\C(=O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Heliotropium Ramosissimum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pulsatilla Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients