Basic information
- CAS
40098-47-3- Standard SMILES
CCOC(=O)CC1=CCCC1=O- InChIKey
PAQFGLVSGZKRTG-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- Ethyl 2-(5-oxo-1-cyclopentenyl)acetate
- IUPAC
- ethyl 2-(5-oxocyclopenten-1-yl)acetate
Names & synonyms
Ethyl 2-(5-oxo-1-cyclopentenyl)acetate40098-47-32-(carbethoxymethyl)cyclopent-2-en-1-one1-Cyclopentene-1-acetic acid, 5-oxo-, ethyl esterSCHEMBL11581498DTXSID20463279PAQFGLVSGZKRTG-UHFFFAOYSA-N2-(carbethoxymethyl)cyclopent-2-en-one2-(carbethoxymethyl)cyclopent-2en-1-oneethyl (5-oxo-1-cyclopenten-1-yl)acetateEthyl (5-oxocyclopent-1-en-1-yl)acetateInChI=1/C9H12O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h4H,2-3,5-6H2,1H
Database identifiers
- CAS
40098-47-3- PubChem CID
- 11355698
- DTXSID
DTXSID20463279- Nikkaji
- J1.760.064H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Related reactions
5 records
Compound notes
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