7-Formylcyclopenta[c]pyran-4-carboxylic acid
PubChem CID: 71401376
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7-Formylcyclopenta[c]pyran-4-carboxylic acid, 65597-43-5, DTXSID90822470 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 67.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Iridoids monoterpenoids |
| Deep Smiles | O=Ccccc-c5cocc6C=O)O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CC2CCOCC2C1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 251.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-formylcyclopenta[c]pyran-4-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H6O4 |
| Scaffold Graph Node Bond Level | c1cc2ccocc-2c1 |
| Inchi Key | SAUXEYGZKWTNEU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | cerberinic acid |
| Esol Class | Very soluble |
| Functional Groups | cC(=O)O, cC=O, coc |
| Compound Name | 7-Formylcyclopenta[c]pyran-4-carboxylic acid |
| Exact Mass | 190.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 190.15 |
| 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/C10H6O4/c11-3-6-1-2-7-8(6)4-14-5-9(7)10(12)13/h1-5H,(H,12,13) |
| Smiles | C1=C(C2=COC=C(C2=C1)C(=O)O)C=O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cerbera Manghas (Plant) Rel Props:Reference:ISBN:9788185042084