Basic information
- CAS
52236-45-0- Standard SMILES
N#CCCC1(CCC#N)c2ccccc2C(=O)c2ccccc21- InChIKey
UEAAJEKNAGKTKF-UHFFFAOYSA-N- Molecular formula
- C20H16N2O
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.12626314
Names & identifiers
- Preferred name
- 3-[9-(2-Cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrile
- IUPAC
- 3-[9-(2-cyanoethyl)-10-oxoanthracen-9-yl]propanenitrile
Names & synonyms
52236-45-0MLS0033738453,3'-(10-Oxo-9,10-dihydroanthracene-9,9-diyl)dipropanenitrile3-[9-(2-cyanoethyl)-10-oxo-anthracen-9-yl]propanenitrileNSC525258CHEMBL3181994DTXSID80326199NSC-525258SMR002048639DS-004730
Database identifiers
- CAS
52236-45-0- PubChem CID
- 352174
- DTXSID
DTXSID80326199- ChEMBL
CHEMBL3181994
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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