Basic information
- CAS
71788-49-3- Standard SMILES
COC(=O)c1ccc(C)c(O)c1[N+](=O)[O-]- InChIKey
LTGNNMNPRYIBRG-UHFFFAOYSA-N- Molecular formula
- C9H9NO5
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.04807239
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-4-methyl-2-nitrobenzoate
- IUPAC
- methyl 3-hydroxy-4-methyl-2-nitrobenzoate
Names & synonyms
methyl 3-hydroxy-4-methyl-2-nitrobenzoate71788-49-3methyl 3-hydroxy-4-methyl-2-nitro-benzoateNSC226828SCHEMBL8307192DTXSID00310398NSC-226828
Database identifiers
- CAS
71788-49-3- PubChem CID
- 313233
- DTXSID
DTXSID00310398
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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