9-Cyanononanoic acid
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Basic information
- CAS
5810-19-5- Standard SMILES
N#CCCCCCCCCC(=O)O- InChIKey
XAMQDDUUJRMAQX-UHFFFAOYSA-N- Molecular formula
- C10H17NO2
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.12592879
Names & identifiers
- Preferred name
- 9-Cyanononanoic acid
- IUPAC
- 9-cyanononanoic acid
- English name
- 9-Cyanononanoic acid
- Molecular formula
- C10H17NO2
- Molecular weight
- 183.25
Names & synonyms
9-cyanononanoic acid5810-19-5DTXSID10289304RefChem:313068DTXCID102404509-cyanopelargonic acidNSC 60221NSC60221SCHEMBL4188688XAMQDDUUJRMAQX-UHFFFAOYSA-NNSC-60221AKOS024263960
Show more names
ω-Cyanopelargonic acidNonanoic acid, 9-cyano-
Database identifiers
- CAS
5810-19-5- PubChem CID
- 246756
- DTXSID
DTXSID10289304- Nikkaji
- J13.296I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Related reactions
1 records
Compound notes
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