Basic information
- CAS
75968-85-3- Standard SMILES
CCCOC(=O)CC(=O)OCC- InChIKey
OLGXVKQPZBFKBA-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- Ethyl propyl propanedioate
- IUPAC
- 1-O-ethyl 3-O-propyl propanedioate
Names & synonyms
ethyl propyl propanedioate75968-85-3DTXSID50290217RefChem:344995DTXCID30241363ethylpropyl malonateNSC67385SCHEMBL240898NSC-67385
Database identifiers
- CAS
75968-85-3- PubChem CID
- 249283
- DTXSID
DTXSID50290217- Nikkaji
- J3.037.592K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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