Basic information
- CAS
165459-75-6- Standard SMILES
[C-]#[N+]CCc1cc(OC)c(OC)c(OC)c1- InChIKey
ZQMBKJSONUTTKR-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene
- IUPAC
- 5-(2-isocyanoethyl)-1,2,3-trimethoxybenzene
Names & synonyms
5-(2-isocyanoethyl)-1,2,3-trimethoxybenzene165459-75-6SCHEMBL9142610DTXSID501261854EN300-1837882
Database identifiers
- CAS
165459-75-6- PubChem CID
- 449802
- DTXSID
DTXSID501261854
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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