(R)-3,7-Dimethyl-5-indanecarboxylic acid
PubChem CID: 10797750
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| Compound Synonyms | (R)-3,7-Dimethyl-5-indanecarboxylic acid, 3,7-dimethyl-2,3-dihydro-1H-indene-5-carboxylic Acid, CHEMBL510208, CHEBI:197094, 3,7-dimethylindan-5-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Description | Constituent of Curcuma zedoaria (zedoary). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethyl-2,3-dihydro-1H-indene-5-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C12H14O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YGZDWJVKOQPZDX-UHFFFAOYSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -3.654 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.391 |
| Compound Name | (R)-3,7-Dimethyl-5-indanecarboxylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 190.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 190.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.148043257142857 |
| Inchi | InChI=1S/C12H14O2/c1-7-3-4-10-8(2)5-9(12(13)14)6-11(7)10/h5-7H,3-4H2,1-2H3,(H,13,14) |
| Smiles | CC1CCC2=C1C=C(C=C2C)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients