2-(4-Methoxyphenyl)Propanoic Acid
PubChem CID: 257576
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| Compound Synonyms | 2-(4-Methoxyphenyl)propanoic acid, 942-54-1, Benzeneacetic acid, 4-methoxy-a-methyl-, MFCD00969551, DTXSID70292819, 2-(4-methoxyphenyl)-propionic acid, Propanoic acid, 2-(4-methoxyphenyl), 2-(4-Methoxyphenyl)propionic Acid, NSC85712, p-Methoxyphenylpropionsaure, 4-methoxyphenylpropionic acid, SCHEMBL350067, CHEMBL370087, 2-(4-Methoxyphenyl)propanoicacid, DTXCID50243960, 2-(p-Methoxyphenyl)propionic acid, ZAA47014, P-MEO-B-PHENYLPROPIONIC ACID, NSC-85712, 2-(4'-methoxyphenyl)-propionic acid, 2-(4-Methoxy-phenyl)-propionic acid, AKOS008146334, alpha-methyl-p-methoxyphenylacetic acid, CS-W007059, alpha-(4'-methoxyphenyl)-propionic acid, BS-13849, SY107941, DB-260052, EN300-72276, Z792377298, 829-373-5 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P25024 |
| Iupac Name | 2-(4-methoxyphenyl)propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KBDLTYNZHQRMQC-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.093 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.916 |
| Compound Name | 2-(4-Methoxyphenyl)Propanoic Acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.297797061538461 |
| Inchi | InChI=1S/C10H12O3/c1-7(10(11)12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3,(H,11,12) |
| Smiles | CC(C1=CC=C(C=C1)OC)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all