Basic information
- CAS
80365-00-0- Standard SMILES
CCOc1c(C#N)cccc1OC- InChIKey
KQWOMRZXIXAASI-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 2-Ethoxy-3-methoxybenzonitrile
- IUPAC
- 2-ethoxy-3-methoxybenzonitrile
Names & synonyms
2-Ethoxy-3-methoxybenzonitrile80365-00-0Benzonitrile, 2-ethoxy-3-methoxy-SCHEMBL14601543DTXSID10627565AKOS005351041A1-05454
Database identifiers
- CAS
80365-00-0- PubChem CID
- 22683028
- DTXSID
DTXSID10627565
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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