Basic information
- Standard SMILES
CCOC(=O)C(C)c1ccc(O)c([N+](=O)[O-])c1- InChIKey
JOQMCPDKWVQWHP-UHFFFAOYSA-N- Molecular formula
- C11H13NO5
- Average molar mass
- 239.22 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(4-hydroxy-3-nitrophenyl)propanoate
- IUPAC
- ethyl 2-(4-hydroxy-3-nitrophenyl)propanoate
Names & synonyms
ethyl 2-(4-hydroxy-3-nitrophenyl)propanoateSCHEMBL4136743JOQMCPDKWVQWHP-UHFFFAOYSA-Nethyl 2-(3-nitro-4-hydroxyphenyl)propionate2-(4-Hydroxy-3-nitro-phenyl)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 21444155
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
14 records
Compound notes
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