Ethyl 2-Methoxybenzoate
PubChem CID: 81784
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| Compound Synonyms | Ethyl 2-methoxybenzoate, 7335-26-4, Ethyl o-anisate, 2-Methoxybenzoic acid ethyl ester, Ethyl ortho-anisate, Ethyl o-methoxybenzoate, Benzoic acid, 2-methoxy-, ethyl ester, o-Anisic acid, ethyl ester, 2-ETHYLANISATE, DTXSID9047126, UNII-1OB313918P, 2-methoxy-benzoic acid ethyl ester, EINECS 230-843-1, 1OB313918P, ETHYLMETHOXY SALICYLATE, AI3-30234, DTXCID7027126, o-Methoxybenzoic acid, ethyl ester, ETHYLMETHOXY SALICYLATE [WHO-DD], MFCD00015148, SCHEMBL873499, CHEMBL3183817, Ethyl 2-methoxybenzoate, AldrichCPR, Tox21_302680, AKOS008947856, FA02025, GS-6891, NCGC00256713-01, CAS-7335-26-4, DB-021043, CS-0100631, NS00012439, H10032, Ethyl o-anisate, 2-Methoxybenzoic acid ethyl ester, Q27252685, 670-271-3 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2-methoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FNODWEPAWIJGPM-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.465 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.123 |
| Compound Name | Ethyl 2-Methoxybenzoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5530970615384616 |
| Inchi | InChI=1S/C10H12O3/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h4-7H,3H2,1-2H3 |
| Smiles | CCOC(=O)C1=CC=CC=C1OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Fischeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Apocynum Androsaemifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Espeletia Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hyacinthus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Lagascea Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Phlegmariurus Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Pulmonaria Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Rosa Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Tetracera Alnifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all