Methyl 3,4-Dimethoxybenzoate
PubChem CID: 16522
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| Compound Synonyms | METHYL 3,4-DIMETHOXYBENZOATE, 2150-38-1, Methyl veratrate, Benzoic acid, 3,4-dimethoxy-, methyl ester, Veratric acid, methyl ester, 3,4-Dimethoxybenzoic acid methyl ester, UVN42ZC9BD, MFCD00008430, NSC-15668, veratric acid methyl ester, DTXSID1062207, EINECS 218-424-1, NSC 15668, AI3-20957, Methylveratrate, UNII-UVN42ZC9BD, bmse010230, methyl 3,4 dimethoxybenzoate, methyl 3, 4-dimethoxybenzoate, CHEMBL446736, SCHEMBL2050732, DTXCID9036486, METHYL3,4-DIMETHOXYBENZOATE, 3,4-dimethoxy-benzoicacimethylester, BCP05946, NSC15668, AKOS000277538, CS-W010599, FM29131, AS-59334, SY049313, M2805, NS00026881, EN300-15463, A10428, 3,4dihydroxybenzoic acid, dimethyl ether, methyl ester, Q63392110, Z18491817, 218-424-1 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3,4-dimethoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BIGQPYZPEWAPBG-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.933 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.95 |
| Compound Name | Methyl 3,4-Dimethoxybenzoate |
| 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 | -2.3317952571428573 |
| Inchi | InChI=1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C(=O)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adesmia Boronioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Croton Ruizianus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysotoxum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Loddigesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Galium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Gymnadenia Conopsea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Marsdenia Tinctoria (Plant) Rel Props:Source_db:npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Maytenus Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Oxytropis Muricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Polytrichum Commune (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all