4-Ethyltetrahydro-5-oxo-3-furanacetic acid
Basic information
- CAS
6544-33-8- Standard SMILES
CCC1C(=O)OCC1CC(=O)O- InChIKey
AQARPLAIJXEEPY-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- 4-Ethyltetrahydro-5-oxo-3-furanacetic acid
- IUPAC
- 2-(4-ethyl-5-oxooxolan-3-yl)acetic acid
- English name
- 4-ethyltetrahydro-5-oxofuran-3-acetic acid
- Molecular formula
- C8H12O4
- Molecular weight
- 172.17848
Names & synonyms
6544-33-8Homopilopic acid4-Ethyltetrahydro-5-oxo-3-furanacetic acidRefChem:912506229-461-82-(4-ethyl-5-oxotetrahydrofuran-3-yl)acetic acid4-Ethyltetrahydro-5-oxofuran-3-acetic acid2-(4-ethyl-5-oxooxolan-3-yl)acetic acidEINECS 229-461-8SCHEMBL29159497DTXSID90984047AQARPLAIJXEEPY-UHFFFAOYSA-N
Show more names
CS-0068223NS00046920(4-ETHYL-5-OXOOXOLAN-3-YL)ACETIC ACID2-(4-ethyl-5-oxo-tetrahydrofuran-3-yl)acetic acid
Database identifiers
- CAS
6544-33-8- PubChem CID
- 110897
- DTXSID
DTXSID90984047- EC Number
- 229-461-8
- Nikkaji
- J225.178G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
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Compound notes
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