m3OMG
PubChem CID: 99622
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| Compound Synonyms | 3934-86-9, methyl 3,4-dihydroxy-5-methoxybenzoate, 3,4-Dihydroxy-5-methoxybenzoic acid methyl ester, M3OMG, Methyl 3-O-methylgallate, Methyl 3-O-methyl gallate, 8FIX3OQ9G8, Benzoic acid, 3,4-dihydroxy-5-methoxy-, methyl ester, Methyl 3-methoxy-4,5-dihydroxybenzoate, MFCD00183269, UNII-8FIX3OQ9G8, NSC 251664, NSC-251664, DTXSID70192562, METHYL 4,5-DIHYDROXY-3-METHOXYBENZOATE, PROTOCATECHUIC ACID, 5-METHOXY-, METHYL ESTER, 3-METHOXY-4,5-DIHYDROXYBENZOIC ACID METHYL ESTER, Methyl-O-methylgallate, C9H10O5, SCHEMBL1465618, CHEMBL1933687, DTXCID10115053, LVVUKXKEXOTUPV-UHFFFAOYSA-N, HY-N6669, BBL103587, NSC251664, STL557397, AKOS005254586, methyl3,4-dihydroxy-5-methoxybenzoate, methyl 5-methoxy-3,4-dihydroxybenzoate, methyl 3,4-dihydroxy-5-methoxy-benzoate, AC-22905, AS-37642, DB-069799, Methyl 3,4-dihydroxy-5-methoxybenzoic acid, CS-0036473, 3,4-Dihydroxy-5-methoxy-benzoic acid methyl ester |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3,4-dihydroxy-5-methoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVVUKXKEXOTUPV-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.845 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.522 |
| Compound Name | m3OMG |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 198.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.937521657142857 |
| Inchi | InChI=1S/C9H10O5/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,10-11H,1-2H3 |
| Smiles | COC1=CC(=CC(=C1O)O)C(=O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acer Rubrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all