2,4-Dimethoxybenzoic acid
PubChem CID: 7052
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,4-DIMETHOXYBENZOIC ACID, 91-52-1, Benzoic acid, 2,4-dimethoxy-, 2.4-dimethoxybenzoic acid, MFCD00002434, 5699CY3NQJ, NSC 6316, NSC-6316, 2,4-dimethoxy-benzoic acid, 2,4-Dimethoxy benzoic acid, DTXSID1059026, 2,4-dimethoxybenzoicacid, NSC6316, EINECS 202-074-1, 24-Dimethoxybenzoate, 2,4-dimethoxybenzoate, AI3-27498, 24-Dimethoxybenzoic acid, 2,4 dimethoxybenzoic acid, 2, 4-dimethoxybenzoic acid, 2,4-di-methoxybenzoic acid, UNII-5699CY3NQJ, 2, 4-dimethoxy benzoic acid, SCHEMBL154613, CHEMBL463921, DTXCID5048718, 4-methoxy-2-methoxy benzoic acid, 2,4-Dimethoxybenzoic acid, 98%, beta-Resorcylic acid dimethyl ether, AC7813, BBL027381, STL169141, AKOS000119531, BS-3990, CS-W019954, FD71307, AC-23686, SY006197, DB-019964, D1675, NS00039400, EN300-20039, AK-087/42718128, Q63393546, F0850-6813, Z104476538, 202-074-1 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethoxybenzoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Is Pains | False |
| Molecular Formula | C9H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPVDHNVGGIAOQT-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 2,4-Dimethoxybenzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.058 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 182.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 182.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.003073861538461 |
| Inchi | InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11) |
| Smiles | COC1=CC(=C(C=C1)C(=O)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Caerulea (Plant) Rel Props:Source_db:cmaup_ingredients