Basic information
- CAS
89525-73-5- Standard SMILES
COC(=O)c1cc(C)ccc1OCC#N- InChIKey
DEONQNXKDVTPDY-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- Methyl 2-(cyanomethoxy)-5-methylbenzoate
- IUPAC
- methyl 2-(cyanomethoxy)-5-methylbenzoate
Names & synonyms
89525-73-5Methyl 2-(cyanomethoxy)-5-methylbenzoateSCHEMBL11129840DTXSID80534515
Database identifiers
- CAS
89525-73-5- PubChem CID
- 13282136
- DTXSID
DTXSID80534515
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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