Acetyl syringic acid
PubChem CID: 225680
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| Compound Synonyms | 4-Acetoxy-3,5-dimethoxybenzoic acid, 6318-20-3, 4-acetyloxy-3,5-dimethoxybenzoic acid, Acetyl syringic acid, Syringic Acid Acetate, acetylsyringic acid, 4-(acetyloxy)-3,5-dimethoxybenzoic acid, NSC15296, 4-acetoxy-3,5-dimethoxy-benzoic acid, 4-acetoxy-3,5-dimethoxy benzoic acid, SBB000792, bmse010103, SCHEMBL668055, CHEBI:86946, DTXSID20280069, MFCD00016516, NSC-15296, AKOS024306995, FA70714, FS-9824, Benzoic acid, 4-(acetyloxy)-3,5-dimethoxy-, Q27159288, 4-Acetoxy-3,5-dimethoxy benzoic acid,acetyl syringic acid, 664-991-7 |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 276.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-acetyloxy-3,5-dimethoxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C11H12O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VEJHIZHVFWVWRQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -6.277 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.516 |
| Compound Name | Acetyl syringic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 240.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 240.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.984984670588235 |
| Inchi | InChI=1S/C11H12O6/c1-6(12)17-10-8(15-2)4-7(11(13)14)5-9(10)16-3/h4-5H,1-3H3,(H,13,14) |
| Smiles | CC(=O)OC1=C(C=C(C=C1OC)C(=O)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Smilax China (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients