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Basic information
- Standard SMILES
COC(=O)c1ccc(OC)c(OCC2CC2)c1[N+](=O)[O-]- InChIKey
JSBLIWSQNWRLGZ-UHFFFAOYSA-N- Molecular formula
- C13H15NO6
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.0899372
Names & identifiers
- Preferred name
- Methyl 3-(cyclopropylmethoxy)-4-methoxy-2-nitrobenzoate
- IUPAC
- methyl 3-(cyclopropylmethoxy)-4-methoxy-2-nitrobenzoate
Names & synonyms
SCHEMBL730471JSBLIWSQNWRLGZ-UHFFFAOYSA-Nmethyl 3-(cyclopropylmethoxy)-4-methoxy-2-nitrobenzoate
Database identifiers
- PubChem CID
- 53442000
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 364
Related reactions
3 records
Compound notes
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