BDBM36196 trans-3-hexenoate
SMILES: CC\C=C\CC([O-])=O
InChI Key: InChIKey=XXHDAWYDNSXJQM-ONEGZZNKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|
BDBM4 | BDBM36196 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -3.01 | 0.349 | -3.36 | 2.21 | 6.90 | 25 | |
NIST | J Phys Chem B 101: 87-100 (1997) |