Basic information
- Standard SMILES
CC1(c2ccc(CC#N)o2)OCCO1- InChIKey
OWWFSFQZFAXRHX-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- [5-(2-Methyl-[1,3]dioxolan-2-yl)-furan-2-yl]-acetonitrile
- IUPAC
- 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]acetonitrile
Names & synonyms
[5-(2-Methyl-[1,3]dioxolan-2-yl)-furan-2-yl]-acetonitrile1258459-32-3SCHEMBL1705925OWWFSFQZFAXRHX-UHFFFAOYSA-NDB-336594
Database identifiers
- PubChem CID
- 67128458
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Related reactions
2 records
Compound notes
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