Nona-1,4-diyn-1-ylbenzene
Basic information
- CAS
6088-98-8- Standard SMILES
CCCCC#CCC#Cc1ccccc1- InChIKey
XJLIHHZYHAHLLS-UHFFFAOYSA-N- Molecular formula
- C15H16
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.12520051
Names & identifiers
- Preferred name
- Nona-1,4-diyn-1-ylbenzene
- IUPAC
- nona-1,4-diynylbenzene
Names & synonyms
6088-98-8NSC 89014nona-1,4-diyn-1-ylbenzeneNSC89014(Nona-1,4-diyn-1-yl)benzeneDTXSID90293383NSC-89014
Database identifiers
- CAS
6088-98-8- PubChem CID
- 259276
- DTXSID
DTXSID90293383
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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