4-Morpholin-4-ylbut-2-ynyl acetate
Basic information
- CAS
35956-47-9- Standard SMILES
CC(=O)OCC#CCN1CCOCC1- InChIKey
PIMSOWLRDPKDCJ-UHFFFAOYSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- 4-Morpholin-4-ylbut-2-ynyl acetate
- IUPAC
- 4-morpholin-4-ylbut-2-ynyl acetate
Names & synonyms
35956-47-94-morpholin-4-ylbut-2-ynyl acetateNSC362006SCHEMBL6423493DTXSID80320617NSC-3620064-(Morpholin-4-yl)but-2-yn-1-yl acetate
Database identifiers
- CAS
35956-47-9- PubChem CID
- 338666
- DTXSID
DTXSID80320617
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
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Related reactions
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Compound notes
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