Basic information
- CAS
6222-27-1- Standard SMILES
CCC(=O)OCCCCCCCCCOC(=O)CC- InChIKey
MIAMGLJBYZJFSX-UHFFFAOYSA-N- Molecular formula
- C15H28O4
- Average molar mass
- 272.38 g/mol
- Monoisotopic mass
- 272.19875937
Names & identifiers
- Preferred name
- 1,9-Nonanediol, dipropanoate
- IUPAC
- 9-propanoyloxynonyl propanoate
- English name
- 9-propanoyloxynonyl propanoate
- Molecular formula
- C15H28O4
- Molecular weight
- 272.38
Names & synonyms
1,9-Nonanediol, dipropanoateDTXSID60288029RefChem:221940DTXCID00239176MIAMGLJBYZJFSX-UHFFFAOYSA-NNSC53857Nonane-1,9-diyl dipropanoateSCHEMBL14472850NSC-538579-propanoyloxynonyl propanoate1,9-Nonanediol, 1,9-dipropanoate
Database identifiers
- CAS
6222-27-1、6697-63-8- PubChem CID
- 243719
- DTXSID
DTXSID60288029- Nikkaji
- J1.044.625B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 313.9 · 313.9±10.0 °C(Predicted)
- Density
- 0.962 · 0.962±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
吉良化学21-62165282 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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