01
Ingredients
(4ar,7as)-7-methylol-4,4a,5,7a-tetrahydro-3h-cyclopenta[c]pyran-1-one
C9H12O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (4ar,7as)-7-methylol-4,4a,5,7a-tetrahydro-3h-cyclopenta[c]pyran-1-one
- Molecular Formula
- C9H12O3
- Molecular Weight
- No data
- Canonical SMILES
- C1COC(=O)C2C1CC=C2CO
- Isomeric SMILES
- C1COC(=O)[C@H]2[C@@H]1CC=C2CO
- InChI
- InChI=1S/C9H12O3/c10-5-7-2-1-6-3-4-12-9(11)8(6)7/h2,6,8,10H,1,3-5H2/t6-,8+/m1/s1
- Oral Bioavailability
- 82.283
- Drug Likeness
- 0.458
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.