9H-xanthen-9-ylidenepropanedinitrile
Basic information
- CAS
6048-49-3- Standard SMILES
N#CC(C#N)=C1c2ccccc2Oc2ccccc21- InChIKey
CRVMJWCVORNATK-UHFFFAOYSA-N- Molecular formula
- C16H8N2O
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.06366288
Names & identifiers
- Preferred name
- 9H-xanthen-9-ylidenepropanedinitrile
- IUPAC
- 2-xanthen-9-ylidenepropanedinitrile
Names & synonyms
NSC403505SCHEMBL12901464DTXSID10975891CRVMJWCVORNATK-UHFFFAOYSA-N9H-xanthen-9-ylidenepropanedinitrile(9H-Xanthen-9-ylidene)propanedinitrile2-(9H-xanthen-9-ylidene)malononitrileNSC-403505propanedinitrile, 2-(9H-xanthen-9-ylidene)-
Database identifiers
- CAS
6048-49-3- PubChem CID
- 345747
- DTXSID
DTXSID10975891
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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