8-Acetyl-2H-furo[2,3-H]chromen-2-one
PubChem CID: 5315489
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| Compound Synonyms | 185312-01-0, 8-ACETYL-2H-FURO[2,3-H]CHROMEN-2-ONE, 2'-Acetylangelicin, 2H-Furo[2,3-h]-1-benzopyran-2-one, 8-acetyl-, DTXSID00415690, CHEBI:228984, 8-acetyluro[2,3-h]chromen-2-one |
|---|---|
| Topological Polar Surface Area | 56.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 387.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-acetylfuro[2,3-h]chromen-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Is Pains | False |
| Molecular Formula | C13H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FHBLDHGQJXHHPA-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 8-Acetyl-2H-furo[2,3-H]chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.042 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 228.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 228.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.157940952941176 |
| Inchi | InChI=1S/C13H8O4/c1-7(14)11-6-9-10(16-11)4-2-8-3-5-12(15)17-13(8)9/h2-6H,1H3 |
| Smiles | CC(=O)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients