Basic information
- CAS
174574-80-2- Standard SMILES
CCOC(=O)C1C(C(C)C)C1[N+](=O)[O-]- InChIKey
NDSBDRHNTJITDI-UHFFFAOYSA-N- Molecular formula
- C9H15NO4
- Average molar mass
- 201.22 g/mol
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2-(1-methylethyl)-3-nitro-, ethyl ester (9CI)
- IUPAC
- ethyl 2-nitro-3-propan-2-ylcyclopropane-1-carboxylate
- English name
- Cyclopropanecarboxylic acid, 2-(1-methylethyl)-3-nitro-, ethyl ester (9CI)
- Molecular formula
- C9H15NO4
- Molecular weight
- 201.22
Names & synonyms
174574-80-2Cyclopropanecarboxylic acid, 2-(1-methylethyl)-3-nitro-, ethyl ester (9CI)ethyl 2-nitro-3-propan-2-ylcyclopropane-1-carboxylateCyclopropanecarboxylic acid, 2-(1-methylethyl)-3-nitro-, ethyl ester
Database identifiers
- CAS
174574-80-2
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 268.1 · 268.1±29.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 6.26 · 6.26±0.60(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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