Basic information
- CAS
771560-29-3- Standard SMILES
CCOc1cccc(CC(C#N)C#N)c1- InChIKey
GOHRFGDXZBLNKK-UHFFFAOYSA-N- Molecular formula
- C12H12N2O
- Average molar mass
- 200.24 g/mol
- Monoisotopic mass
- 200.09496301
Names & identifiers
- Preferred name
- 2-[(3-Ethoxyphenyl)methyl]propanedinitrile
- IUPAC
- 2-[(3-ethoxyphenyl)methyl]propanedinitrile
- English name
- Propanedinitrile, [(3-ethoxyphenyl)methyl]- (9CI)
- Molecular formula
- C12H12N2O
- Molecular weight
- 200.24
Names & synonyms
Propanedinitrile, 2-[(3-ethoxyphenyl)methyl]-Propanedinitrile, [(3-ethoxyphenyl)methyl]- (9CI)
Database identifiers
- CAS
771560-29-3- PubChem CID
- 45091631
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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