2-[(4-methoxyphenyl)methyl]-3-methylbutanedioic acid
Chemical Structure Depiction of
2-[(4-methoxyphenyl)methyl]-3-methylbutanedioic acid
2-[(4-methoxyphenyl)methyl]-3-methylbutanedioic acid
Compound characteristics
| Compound ID: | 1902-0366 |
| Compound Name: | 2-[(4-methoxyphenyl)methyl]-3-methylbutanedioic acid |
| Molecular Weight: | 252.26 |
| Molecular Formula: | C13 H16 O5 |
| Smiles: | CC(C(Cc1ccc(cc1)OC)C(O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0709 |
| logD: | -1.8728 |
| logSw: | -2.0582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.599 |
| InChI Key: | NPRHTWLQMBOOEJ-UHFFFAOYSA-N |