2-Hydroxy-6-methoxybenzoic acid
PubChem CID: 591524
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| Compound Synonyms | 2-Hydroxy-6-methoxybenzoic acid, 6-Methoxysalicylic acid, 3147-64-6, MFCD00674090, Benzoic acid, 2-hydroxy-6-methoxy-, DTXSID60343682, 2-Hydroxy-6-methoxybenzenecarboxylic Acid, , 6-Hydroxy-o-anisic Acid, 6-Methoxysalicylsaure, 6-methoxy-salicylic acid, SCHEMBL973470, 2-Hydroxy-6-methoxybenzoicacid, 6-Methoxysalicylic acid, 98%, 6-methoxy-2-hydroxobenzoic acid, CHEMBL3093473, DTXCID90294759, 2-Hydroxy-6-methoxy-benzoic acid, 2-hydroxy-6-methoxybenzoic acid_, CHEBI:169986, 2-Hydroxy-6-methoxybenzoic acid #, AKOS015890603, CS-W017816, HY-W017100, PS-3721, AC-23037, PD054432, SY047059, DB-026405, M1941, NS00014767, EN300-182671, O10800, Z1255438926, InChI=1/C8H8O4/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,9H,1H3,(H,10,11, 626-007-4, 824-894-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Simple phenolic acids |
| Deep Smiles | COcccccc6C=O)O)))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-6-methoxybenzoic acid |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H8O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | AAUQLHHARJUJEH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-hydroxy-6-methoxy benzoic acid, 2-hydroxy-6-methoxy-benzoic acid, 2-hydroxy-6-methoxybenzoic acid, 2-hydroxy-6-methoxybenzoic-acid, 2-oh-6-meo benzoic acid, 6-methoxy-salicylic-acid |
| Esol Class | Very soluble |
| Functional Groups | cC(=O)O, cO, cOC |
| Compound Name | 2-Hydroxy-6-methoxybenzoic acid |
| Exact Mass | 168.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 168.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H8O4/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,9H,1H3,(H,10,11) |
| Smiles | COC1=CC=CC(=C1C(=O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
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