Basic information
- CAS
3619-42-9- Standard SMILES
CC(CCC#N)C1OCCO1- InChIKey
OXJDDJYZVKWNOF-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
Names & identifiers
- Preferred name
- 4-(1,3-Dioxolan-2-yl)pentanenitrile
- IUPAC
- 4-(1,3-dioxolan-2-yl)pentanenitrile
- English name
- 1,3-Dioxolane-2-butanenitrile, -gamma--methyl-
- Molecular formula
- C8H13NO2
- Molecular weight
- 0
Names & synonyms
3619-42-91,3-Dioxolane-2-butanenitrile, -gamma--methyl-
Database identifiers
- CAS
3619-42-9
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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