Basic information
- CAS
118730-25-9- Standard SMILES
COC(=O)c1c(C)cc(OC)cc1N=C=O- InChIKey
XEPSZUAHLHIYDG-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- Methyl 2-isocyanato-4-methoxy-6-methylbenzoate
- IUPAC
- methyl 2-isocyanato-4-methoxy-6-methylbenzoate
Names & synonyms
DTXSID901247240Methyl 2-isocyanato-4-methoxy-6-methylbenzoate118730-25-9
Database identifiers
- CAS
118730-25-9- PubChem CID
- 85579256
- DTXSID
DTXSID901247240
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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