3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile
Basic information
- CAS
1729-65-3- Standard SMILES
N#CCCC1=CC(CCC#N)(CCC#N)c2ccccc21- InChIKey
ZNGGADTVLFYLIB-UHFFFAOYSA-N- Molecular formula
- C18H17N3
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.14224756
Names & identifiers
- Preferred name
- 3-[3,3-Bis(2-cyanoethyl)inden-1-yl]propanenitrile
- IUPAC
- 3-[3,3-bis(2-cyanoethyl)inden-1-yl]propanenitrile
Names & synonyms
1729-65-31H-Indene-1,1,3-tripropanenitrile3-[3,3-bis(2-cyanoethyl)inden-1-yl]propanenitrile1,1,3-IndenetripropionitrileNIOSH/NK8850000NK88500000NSC625693,3',3''-(1h-indene-1,1,3-triyl)tripropanenitrileDTXSID30289644MFCD00083115NSC-62569
Database identifiers
- CAS
1729-65-3- PubChem CID
- 247609
- DTXSID
DTXSID30289644
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 525
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Compound notes
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