5-Hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate
Basic information
- CAS
68907-80-2- Standard SMILES
CC(=O)OC1C=CC(=O)C1(O)CO- InChIKey
AGNRGFRAFJOXHH-UHFFFAOYSA-N- Molecular formula
- C8H10O5
- Average molar mass
- 186.16 g/mol
- Monoisotopic mass
- 186.05282342
Names & identifiers
- Preferred name
- 5-Hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate
- IUPAC
- [5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
Names & synonyms
68907-80-25-Hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetatePENTENOMYCIN II, (+)-4-Acetoxy-5-hydroxy-5-hydroxymethyl-2-cyclopenten-1-oneDTXSID70316746NSC306406NSC-306406DB-31616657172-42-6
Database identifiers
- CAS
68907-80-2- PubChem CID
- 328264
- DTXSID
DTXSID70316746- Nikkaji
- J131.839J
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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