2-Azetidinecarboxaldehyde, 1-(3-butynyl)-3-methoxy-4-oxo-, (2R,3R)-
Basic information
- CAS
277757-71-8- Standard SMILES
C#CCCN1C(=O)[C@H](OC)[C@@H]1C=O- InChIKey
GYMFGTJDJHBFPE-JGVFFNPUSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 2-Azetidinecarboxaldehyde, 1-(3-butynyl)-3-methoxy-4-oxo-, (2R,3R)-
- IUPAC
- (2R,3R)-1-but-3-ynyl-3-methoxy-4-oxoazetidine-2-carbaldehyde
Names & synonyms
277757-71-82-Azetidinecarboxaldehyde, 1-(3-butynyl)-3-methoxy-4-oxo-, (2R,3R)-DTXSID40440688(2R,3R)-1-(BUT-3-YN-1-YL)-3-METHOXY-4-OXOAZETIDINE-2-CARBALDEHYDE
Database identifiers
- CAS
277757-71-8- PubChem CID
- 10487643
- DTXSID
DTXSID40440688- Nikkaji
- J1.359.407D
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 265
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Related reactions
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Compound notes
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