2,3,4-Trimethoxybenzoic acid
PubChem CID: 11308
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,3,4-TRIMETHOXYBENZOIC ACID, 573-11-5, MFCD00002433, Benzoic acid, 2,3,4-trimethoxy-, EINECS 209-350-0, DTXSID00205912, 2,3,4-Trimethoxy-benzoic acid, Benzoic acid, trimethoxy-, trimethoxybenzoic acid, 50855-25-9, AP-065/41884107, SCHEMBL102827, DTXCID30128403, BCP34374, BBL027380, CK2163, STL257458, AKOS000119569, CS-W014274, FT71341, GS-3092, 2,3,4-Trimethoxybenzoic acid, >=98%, AC-11256, SY020854, DB-005822, DS-007130, NS00022404, T1116, EN300-20493, Benzoic acid, trimethoxy-, Trimetazidine Impurity 4, Q63408785, F2191-0077, Z104478406, 209-350-0, InChI=1/C10H12O5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 218.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,4-trimethoxybenzoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Is Pains | False |
| Molecular Formula | C10H12O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HZNQSWJZTWOTKM-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 2,3,4-Trimethoxybenzoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 212.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 212.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 212.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2523462 |
| Inchi | InChI=1S/C10H12O5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) |
| Smiles | COC1=C(C(=C(C=C1)C(=O)O)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Akane (Plant) Rel Props:Source_db:cmaup_ingredients