Basic information
- CAS
21603-67-8- Standard SMILES
CC(=O)C(CCC#N)C(C)=O- InChIKey
IPCFNMNFKCSYJG-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- 4-Acetyl-5-oxohexanenitrile
- IUPAC
- 4-acetyl-5-oxohexanenitrile
- English name
- 4-Acetyl-5-oxo-hexanenitrile
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
4-acetyl-5-oxohexanenitrile21603-67-84-acetyl-5-oxo-hexanenitrileHexanenitrile, 4-acetyl-5-oxo-MFCD005206774,4-DiacetylbutyronitrileSCHEMBL9432674DTXSID20329780IPCFNMNFKCSYJG-UHFFFAOYSA-NSBB022086AKOS000310333ST089046
Show more names
AKOS B020620ART-CHEM-BB B020620
DB-032149CS-0272037EN300-229570
Database identifiers
- CAS
21603-67-8- PubChem CID
- 423784
- DTXSID
DTXSID20329780- Nikkaji
- J1.604.769D
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 197
Chemistry & industry
Suppliers7 total
Fluorochem Ltd[email protected]
FLRO-SR[email protected]
OAKWOOD[email protected]
ART-CHEM-BB[email protected]
UKRORGSYN-BB[email protected]
CHEMCOLLECT[email protected]
Related reactions
6 records
Compound notes
Loading…