5,6,7,8-tetrahydro-2H-chromen-2-one
PubChem CID: 3964390
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| Compound Synonyms | 5,7-dihydrocoumarin, 5,6,7,8-tetrahydro-2H-chromen-2-one, 16326-65-1, 5,6,7,8-Tetrahydrocumarin, CHEMBL465435, SCHEMBL6822041, DTXSID10398268, 5,6,7,8-tetrahydro-chromen-2-one, STK084752, AKOS005393100 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11511 |
| Iupac Name | 5,6,7,8-tetrahydrochromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C9H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TUCYOPUMAOACER-UHFFFAOYSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -1.862 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.539 |
| Compound Name | 5,6,7,8-tetrahydro-2H-chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6833337636363634 |
| Inchi | InChI=1S/C9H10O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2 |
| Smiles | C1CCC2=C(C1)C=CC(=O)O2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all