Benzoic acid, 2-hydroxy-4-methoxy-3,6-dimethyl-
PubChem CID: 3083580
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| Compound Synonyms | 2-hydroxy-4-methoxy-3,6-dimethylbenzoic acid, Rhizironic acid, 479-26-5, Benzoic acid, 2-hydroxy-4-methoxy-3,6-dimethyl-, RHIZONIC ACID, Rhizoninsaure, CHEMBL2227774, DTXSID80197321, CHEBI:144293, ZB1040, G90751 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-4-methoxy-3,6-dimethylbenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C10H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BMRVNZZVDSVOQG-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.896 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.543 |
| Compound Name | Benzoic acid, 2-hydroxy-4-methoxy-3,6-dimethyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 196.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.715795257142857 |
| Inchi | InChI=1S/C10H12O4/c1-5-4-7(14-3)6(2)9(11)8(5)10(12)13/h4,11H,1-3H3,(H,12,13) |
| Smiles | CC1=CC(=C(C(=C1C(=O)O)O)C)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Usnea Longissima (Plant) Rel Props:Source_db:npass_chem_all