4-Methyl-m-anisic acid
PubChem CID: 81579
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| Compound Synonyms | 3-Methoxy-4-methylbenzoic acid, 7151-68-0, 4-Methyl-m-anisic acid, Benzoic acid, 3-methoxy-4-methyl-, 3-Methoxy-p-toluic acid, EINECS 230-486-1, MFCD00002566, DTXSID90221742, NSC 70224, 3-Methoxy-4-methylbenzoicacid, 3-Methoxy-4-Methyl-Benzoic Acid, 3-Methoxy-4-methyl benzoic acid, NSC70224, NCIOpen2_000379, SCHEMBL503429, 4-methyl-3-methoxy benzoic acid, DTXCID20144233, BBL104416, NSC-70224, STK504015, AKOS001273034, 3-Methoxy-4-methylbenzoic acid, 98%, AC-7311, CS-W017876, DS-1516, FM37499, MF-0045, SY005692, DB-005303, M1426, NS00037232, EN300-21722, Z104511172, 230-486-1 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-4-methylbenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C9H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CEAVPXDEPGAVDA-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.178 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.476 |
| Compound Name | 4-Methyl-m-anisic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 166.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5698912000000003 |
| Inchi | InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11) |
| Smiles | CC1=C(C=C(C=C1)C(=O)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients