CID 12568583
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Basic information
- CAS
40215-62-1- Standard SMILES
[CH2]CC(=O)OCC- InChIKey
SQKCNILPACLIRC-UHFFFAOYSA-N- Molecular formula
- C5H9O2
- Average molar mass
- 101.12 g/mol
- Monoisotopic mass
- 101.06025453
Names & identifiers
- Preferred name
- CID 12568583
- English name
- Propyl, 3-ethoxy-3-oxo- (9CI)
- Molecular formula
- C5H9O2
- Molecular weight
- 0
Names & synonyms
Propyl, 3-ethoxy-3-oxo- (9CI)
Database identifiers
- CAS
40215-62-1- PubChem CID
- 12568583
- Nikkaji
- J2.227.543G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 59.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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