1,2,3-Trimethylindene
PubChem CID: 588778
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| Compound Synonyms | 1,2,3-Trimethylindene, 1,2,3-Trimethyl-1H-indene, 4773-83-5, 1H-Indene, 1,2,3-trimethyl-, trimethylindene, indene, 1,2,3-trimethyl, DTXSID30343290, 1,2,3-Trimethyl-1H-indene #, NS00009616 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3-trimethyl-1H-indene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C12H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPXPQDMZVKFLKB-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.473 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.687 |
| Compound Name | 1,2,3-Trimethylindene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 158.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 158.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9992128 |
| Inchi | InChI=1S/C12H14/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h4-7,9H,1-3H3 |
| Smiles | CC1C(=C(C2=CC=CC=C12)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients