BDBM36185 3-methoxyphenylacetate
SMILES: COc1cccc(CC([O-])=O)c1
InChI Key: InChIKey=LEGPZHPSIPPYIO-UHFFFAOYSA-M
Data: 1 ITC
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM36185 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -2.15 | 0.769 | -2.93 | 1.58 | 6.90 | 25 | |
NIST | J Phys Chem B 101: 87-100 (1997) |