4-Methylbenzofuran
PubChem CID: 33104
Connections displayed (default: 10).
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| Compound Synonyms | 4-Methylbenzofuran, 5670-23-5, 4-methyl-1-benzofuran, Benzofuran, 4-methyl-, EINECS 227-130-2, 2TM9PJ3QE5, SCHEMBL289215, DTXSID10205261, IOOGOHRKXRMUEQ-UHFFFAOYSA-N, AKOS006370994, DB-358450, NS00033568, InChI=1/C9H8O/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6H,1H |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-1-benzofuran |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Is Pains | False |
| Molecular Formula | C9H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IOOGOHRKXRMUEQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 4-Methylbenzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.058 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 132.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 132.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0201043999999997 |
| Inchi | InChI=1S/C9H8O/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6H,1H3 |
| Smiles | CC1=C2C=COC2=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients