Basic information
- CAS
257296-35-8- Standard SMILES
C=C(C#N)CCC1OCCO1- InChIKey
HUIHJWSHLYLXBD-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- 4-(1,3-Dioxolan-2-yl)-2-methylidenebutanenitrile
- IUPAC
- 4-(1,3-dioxolan-2-yl)-2-methylidenebutanenitrile
- English name
- 1,3-Dioxolane-2-butanenitrile, -alpha--methylene-
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
1,3-Dioxolane-2-butanenitrile, α-methylene-1,3-Dioxolane-2-butanenitrile, -alpha--methylene-
Database identifiers
- CAS
257296-35-8- PubChem CID
- 11073623
Properties
Computed structural properties
- XLogP
- 0.8
- 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
- 186
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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