Basic information
- Standard SMILES
CCOC(=O)Cc1ccc([N+](=O)[O-])c(CC)c1- InChIKey
GRHNOGAEOYRHDZ-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 3-Ethyl-4-nitrophenylacetic acid ethyl ester
- IUPAC
- ethyl 2-(3-ethyl-4-nitrophenyl)acetate
Names & synonyms
3-Ethyl-4-nitrophenylacetic acid ethyl esterSCHEMBL3723783GRHNOGAEOYRHDZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57683243
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Related reactions
3 records
Compound notes
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