Basic information
- CAS
62377-03-1- Standard SMILES
C#C[C@@H]1C[C@H]1C=O- InChIKey
LDOHIQPRRFXVSI-RITPCOANSA-N- Molecular formula
- C6H6O
- Average molar mass
- 94.11 g/mol
- Monoisotopic mass
- 94.04186481
Names & identifiers
- Preferred name
- (1R,2R)-2-Ethynylcyclopropane-1-carbaldehyde
- IUPAC
- trans-(1R,2R)-2-ethynylcyclopropane-1-carbaldehyde
Names & synonyms
62377-03-1(1R,2R)-2-Ethynylcyclopropane-1-carbaldehydeDTXSID60494380
Database identifiers
- CAS
62377-03-1- PubChem CID
- 12364775
- DTXSID
DTXSID60494380
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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