3-Ethoxy-4-methoxybenzoic acid
PubChem CID: 2822957
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| Compound Synonyms | 3-ethoxy-4-methoxybenzoic acid, 2651-55-0, Benzoic acid, 3-ethoxy-4-methoxy-, DTXSID40384932, Benzoic acid,3-ethoxy-4-methoxy-, Maybridge1_005010, MFCD00276591, SCHEMBL3612256, HMS555L16, 3-Ethoxy-4-methoxy-benzoic acid, DTXCID10335956, DMSAIFTWQMXOBE-UHFFFAOYSA-N, CAA65155, BBL034756, STL416175, AKOS000201746, AS-61586, DB-046973, CS-0151497, EN300-10586, E75783, Z56347450, F8889-9248 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethoxy-4-methoxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C10H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DMSAIFTWQMXOBE-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.723 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.126 |
| Compound Name | 3-Ethoxy-4-methoxybenzoic acid |
| 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 | -2.369595257142857 |
| Inchi | InChI=1S/C10H12O4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6H,3H2,1-2H3,(H,11,12) |
| Smiles | CCOC1=C(C=CC(=C1)C(=O)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Furcijuga (Plant) Rel Props:Source_db:cmaup_ingredients