6-Methoxy-2,2-dimethylbenzo[h]chromene-5-carboxylic acid
PubChem CID: 10636777
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| Compound Synonyms | CHEMBL457147 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 442.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-2,2-dimethylbenzo[h]chromene-5-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PBJJOKKSYHYCOA-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.258 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.379 |
| Compound Name | 6-Methoxy-2,2-dimethylbenzo[h]chromene-5-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.084809152380951 |
| Inchi | InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(18)19)15(20-3)11-7-5-4-6-10(11)14(12)21-17/h4-9H,1-3H3,(H,18,19) |
| Smiles | CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients