Basic information
- CAS
56519-66-5- Standard SMILES
CCC(=O)OCCCOC(=O)CC- InChIKey
UMRLNZREIFILSG-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Names & identifiers
- Preferred name
- 3-Propanoyloxypropyl propanoate
- IUPAC
- 3-propanoyloxypropyl propanoate
Names & synonyms
3-propanoyloxypropyl propanoate56519-66-5DTXSID20290183RefChem:281936DTXCID90241329propane-1,3-diyl dipropanoateNSC672571,3-propanediol dipropionateSCHEMBL2600809SCHEMBL8421638SCHEMBL11039659NSC-67257
Database identifiers
- CAS
56519-66-5- PubChem CID
- 249196
- DTXSID
DTXSID20290183- Nikkaji
- J106.490H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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