2-(Prop-1-EN-2-YL)-2H,3H,7H-furo[3,2-G]chromen-7-one
PubChem CID: 759293
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| Compound Synonyms | 2-(PROP-1-EN-2-YL)-2H,3H,7H-FURO[3,2-G]CHROMEN-7-ONE, HMS1607E15, AKOS021983163, (2S)-2-isopropenyl-2,3-dihydrofuro[3,2-g]chromen-7-one, (2S)-2-isopropenyl-2,3-dihydro-7H-furo[3,2-g]chromen-7-one |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C14H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VMWUHWZFDITAOL-NSHDSACASA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -2.047 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.101 |
| Compound Name | 2-(Prop-1-EN-2-YL)-2H,3H,7H-furo[3,2-G]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5883255176470588 |
| Inchi | InChI=1S/C14H12O3/c1-8(2)11-6-10-5-9-3-4-14(15)17-12(9)7-13(10)16-11/h3-5,7,11H,1,6H2,2H3/t11-/m0/s1 |
| Smiles | CC(=C)[C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients