Basic information
- CAS
1846-67-9- Standard SMILES
CCCCC#CC=O- InChIKey
XWZLMLGAYCVWAU-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Names & identifiers
- Preferred name
- 2-Heptynal
- IUPAC
- hept-2-ynal
- English name
- 2-Heptynal
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
2-Heptynalhept-2-ynal1846-67-9Butylpropiolaldehyd2-Heptynal #Hept-2-yn-1-alSCHEMBL953771SCHEMBL953772DTXSID90338465XWZLMLGAYCVWAU-UHFFFAOYSA-N
Database identifiers
- CAS
1846-67-9- PubChem CID
- 549253
- DTXSID
DTXSID90338465- Nikkaji
- J292.818C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 113
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -48.35 °C · -48.35°C (estimate)
- Boiling point
- 196.47 °C · 196.47°C (estimate)
- Density
- 0.9023 · 0.9023 (estimate)
- refractive index
- 1.4171 · 1.4171 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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