Basic information
- CAS
89770-24-1- Standard SMILES
N#CC1=C(N)Oc2ccc3ccccc3c2C1C(C#N)C#N- InChIKey
BGVHVJAANZPXDF-UHFFFAOYSA-N- Molecular formula
- C17H10N4O
- Average molar mass
- 286.29 g/mol
- Monoisotopic mass
- 286.08546096
Names & identifiers
- Preferred name
- (3-Amino-2-cyano-1H-naphtho[2,1-b]pyran-1-yl)propanedinitrile
- IUPAC
- 2-(3-amino-2-cyano-1H-benzo[f]chromen-1-yl)propanedinitrile
Names & synonyms
89770-24-1DTXSID80526854(3-Amino-2-cyano-1H-naphtho[2,1-b]pyran-1-yl)propanedinitrile
Database identifiers
- CAS
89770-24-1- PubChem CID
- 13199378
- DTXSID
DTXSID80526854
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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