2-Propenoic acid, 3-(4-methoxyphenyl)-2-methyl-, (2E)-
PubChem CID: 5319483
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| Compound Synonyms | 40527-52-4, 13048-80-1, 2-Propenoic acid, 3-(4-methoxyphenyl)-2-methyl-, (2E)-, (E)-3-(4-Methoxyphenyl)-2-methylacrylic acid, (2E)-3-(4-METHOXYPHENYL)-2-METHYLPROP-2-ENOIC ACID, 3-(4-Methoxyphenyl)-2-methyl-2-propenoic acid, NSC49128, (E)-3-(4-methoxyphenyl)-2-methylprop-2-enoic acid, SCHEMBL1237224, SCHEMBL1237225, MFCD00156954, NSC-49128, AKOS006273883, p-Methoxy-.alpha.-methyl-cinnamic acid, AS-69608, (E)-3-(4-Methoxyphenyl)-2-methylacrylicacid, W18287, (E)-2-methyl-3-(4-methoxyphenyl)propenoic acid, (2E)-3-(4-Methoxyphenyl)-2-methyl-2-propenoic acid, (2E)-3-(4-Methoxyphenyl)-2-methyl-2-propenoic acid #, (Z)-3-(4-METHOXYPHENYL)-2-METHYL-PROP-2-ENOIC ACID |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-methoxyphenyl)-2-methylprop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C11H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVHHFLSABYBJTE-BQYQJAHWSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.769 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.953 |
| Compound Name | 2-Propenoic acid, 3-(4-methoxyphenyl)-2-methyl-, (2E)- |
| 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 | -3.519720057142857 |
| Inchi | InChI=1S/C11H12O3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)/b8-7+ |
| Smiles | C/C(=C\C1=CC=C(C=C1)OC)/C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients