Basic information
- CAS
5048-29-3- Standard SMILES
C=CCCCCCC#N- InChIKey
OXOUJUXDEZZIEF-UHFFFAOYSA-N- Molecular formula
- C8H13N
- Average molar mass
- 123.2 g/mol
- Monoisotopic mass
- 123.10479942
Names & identifiers
- Preferred name
- 7-Octenenitrile
- IUPAC
- oct-7-enenitrile
- English name
- 7-Octenenitrile
- Molecular formula
- C8H13N
- Molecular weight
- 123.2
Names & synonyms
7-OctenenitrileOct-7-enenitrile5048-29-3MFCD076986117-octenonitrile7-octene-1-nitrileSCHEMBL515877SCHEMBL3176465SCHEMBL22207277DTXSID20447933AKOS016016619DB-208047
Show more names
F200014
Database identifiers
- CAS
5048-29-3- PubChem CID
- 10909562
- DTXSID
DTXSID20447933- Nikkaji
- J3.744.748J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety data
- hs_code
- 2926907090
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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