Benzaldehyde, 3,3'-(1,2-ethynediyl)bis-
Basic information
- CAS
115021-40-4- Standard SMILES
O=Cc1cccc(C#Cc2cccc(C=O)c2)c1- InChIKey
RMERVORJRCQFPE-UHFFFAOYSA-N- Molecular formula
- C16H10O2
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.06807956
Names & identifiers
- Preferred name
- Benzaldehyde, 3,3'-(1,2-ethynediyl)bis-
- IUPAC
- 3-[2-(3-formylphenyl)ethynyl]benzaldehyde
Names & synonyms
115021-40-4Benzaldehyde, 3,3'-(1,2-ethynediyl)bis-SCHEMBL10633500DTXSID204437783,3'-(Ethyne-1,2-diyl)dibenzaldehyde
Database identifiers
- CAS
115021-40-4- PubChem CID
- 10704841
- DTXSID
DTXSID20443778- Nikkaji
- J817.334F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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