1-Ethoxy-3-(isocyanomethyl)benzene
Basic information
- CAS
602261-88-1- Standard SMILES
[C-]#[N+]Cc1cccc(OCC)c1- InChIKey
XMQDWBFYDVOPIN-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 1-Ethoxy-3-(isocyanomethyl)benzene
- IUPAC
- 1-ethoxy-3-(isocyanomethyl)benzene
Names & synonyms
1-ethoxy-3-(isocyanomethyl)benzene602261-88-1DTXSID201295555EN300-1854753
Database identifiers
- CAS
602261-88-1- PubChem CID
- 3596576
- DTXSID
DTXSID201295555
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 13.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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