4H-pyran-4-one
PubChem CID: 7968
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| Compound Synonyms | 4H-PYRAN-4-ONE, 108-97-4, gamma-Pyrone, Pyran-4-one, 4-Pyrone, .gamma.-Pyrone, UNII-UJ7X07IM7Z, UJ7X07IM7Z, 4-oxo-4H-pyran, 4H-Pyran, 4-oxo-, EINECS 203-634-8, MFCD00006576, CHEBI:37966, DTXSID20148352, 4-Pyranone, , A-Pyrone, g-Pyrone, 4-oxo-1H-pyran, 4H-pyran-4-on, DTXCID2070843, 4H-Pyran-4-one, >=98%, AKOS016008736, AS-56532, SY051693, DB-040854, CS-0108723, NS00023510, EN300-49123, Q3411301, Z586248016, 203-634-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | 4-pyrone derivatives |
| Deep Smiles | O=cccocc6 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Pyrans |
| Scaffold Graph Node Level | OC1CCOCC1 |
| Classyfire Subclass | Pyranones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 119.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pyran-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H4O2 |
| Scaffold Graph Node Bond Level | O=c1ccocc1 |
| Inchi Key | CVQUWLDCFXOXEN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | gamma-pyrone |
| Esol Class | Very soluble |
| Functional Groups | c=O, coc |
| Compound Name | 4H-pyran-4-one |
| Exact Mass | 96.0211 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 96.0211 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 96.08 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H |
| Smiles | C1=COC=CC1=O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Cyclic polyketides |
- 1. Outgoing r'ship
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