4-Methyl-3-hydroxyanthranilic acid
PubChem CID: 95222
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| Compound Synonyms | 4-Methyl-3-hydroxyanthranilic acid, 2-amino-3-hydroxy-4-methylbenzoic acid, 552-14-7, 3-Hydroxy-4-methylanthranilic acid, Benzoic acid, 2-amino-3-hydroxy-4-methyl-, 3,4-Cresotic acid, 2-amino-, U5AZK5IEE7, 2-AMINO-3,4-CRESOTIC ACID, UNII-U5AZK5IEE7, NSC 24344, NSC-24344, CHEBI:16116, DTXSID60203691, 2-amino-3,4-Cresotate, C03986, 4-methyl-3-hydroxyanthranilate, SCHEMBL1005989, DTXCID90126182, OYZONAXDAWHDMN-UHFFFAOYSA-N, NSC24344, DB-422820, G12009, Benzoic acid, 2-amino-3-hydroxy-4-methyl-(9CI), Q27098385 |
|---|---|
| Topological Polar Surface Area | 83.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-hydroxy-4-methylbenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C8H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYZONAXDAWHDMN-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.059 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.452 |
| Compound Name | 4-Methyl-3-hydroxyanthranilic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 167.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 167.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 167.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0183168 |
| Inchi | InChI=1S/C8H9NO3/c1-4-2-3-5(8(11)12)6(9)7(4)10/h2-3,10H,9H2,1H3,(H,11,12) |
| Smiles | CC1=C(C(=C(C=C1)C(=O)O)N)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Umbrosum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Allium Ampeloprasum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Iwayomogi (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Drimia Altissima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Helenium Amarum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Scutellaria Viscidula (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Senecio Retrorsus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Source_db:cmaup_ingredients