6-Oxohexanenitrile
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Basic information
- CAS
3523-02-2- Standard SMILES
N#CCCCCC=O- InChIKey
ROLXEZSIIQQWRL-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- 6-Oxohexanenitrile
- IUPAC
- 6-oxohexanenitrile
Names & synonyms
6-oxohexanenitrile3523-02-2DTXSID70452870RefChem:309292DTXCID104036895-formylvaleronitrile6-oxo-hexanenitrileSCHEMBL557134SCHEMBL6574384ROLXEZSIIQQWRL-UHFFFAOYSA-N
Database identifiers
- CAS
3523-02-2- PubChem CID
- 11040652
- DTXSID
DTXSID70452870- Nikkaji
- J1.595.666F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 100
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Related reactions
3 records
Compound notes
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