Basic information
- CAS
93892-08-1- Standard SMILES
CCCCCCOCC(=O)C=O- InChIKey
DGWQOGPDRHHXCF-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 3-(Hexyloxy)-2-oxopropanal
- IUPAC
- 3-hexoxy-2-oxopropanal
- English name
- 3-(hexyloxy)-2-oxopropionaldehyde
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
3-(Hexyloxy)-2-oxopropionaldehyde3-(HEXYLOXY)-2-OXOPROPANAL7E4DQ55P6XDTXSID20239830PROPANAL, 3-(HEXYLOXY)-2-OXO-RefChem:92652DTXCID7016232193892-08-1EINECS 299-488-8UNII-7E4DQ55P6XDGWQOGPDRHHXCF-UHFFFAOYSA-NNS00039722
Show more names
3-Hexyloxy-2-oxopropanal
Database identifiers
- CAS
93892-08-1- PubChem CID
- 3022761
- DTXSID
DTXSID20239830- UNII
- 7E4DQ55P6X
- EC Number
- 299-488-8
- Nikkaji
- J318.492G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- FDA UNII
- 7 E4DQ55P6X · 7E4DQ55P6X
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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