ethyl (Z)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID: 13010829
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| Compound Synonyms | ethyl (Z)-3-(4-methoxyphenyl)prop-2-enoate, (Z)-Ethyl 3-(4-methoxyphenyl)acrylate, Ethyl cis-p-methoxycinnamate, Ethyl cis-4-methoxycinnamate, SCHEMBL434842, NSC26462, NSC44831, NSC-26462, NSC-44831, ethyl (2Z)-3-(4-methoxyphenyl)-acrylate, Ethyl (Z)-3-(4-methoxyphenyl)-2-propenoate, Ethyl (2Z)-3-(4-methoxyphenyl)prop-2-enoate, (Z)-3-(4-methoxyphenyl)-acrylic acid ethyl ester, 2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (2Z)-, 2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (Z)- |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl (Z)-3-(4-methoxyphenyl)prop-2-enoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Is Pains | False |
| Molecular Formula | C12H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DHNGCHLFKUPGPX-TWGQIWQCSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 5.0 |
| Compound Name | ethyl (Z)-3-(4-methoxyphenyl)prop-2-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.094 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 206.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 206.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0691941999999997 |
| Inchi | InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6- |
| Smiles | CCOC(=O)/C=C\C1=CC=C(C=C1)OC |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients