Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester
Basic information
- CAS
57025-45-3- Standard SMILES
CC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
SEBUYNOQPFWJRJ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O6
- Average molar mass
- 268.22 g/mol
- Monoisotopic mass
- 268.06953611
Names & identifiers
- Preferred name
- Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester
- IUPAC
- (2,4-dinitrophenyl) 2,2-dimethylpropanoate
Names & synonyms
Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester57025-45-3DTXSID10337894RefChem:374606DTXCID402889812,4-Dinitrophenyl pivalate #SEBUYNOQPFWJRJ-UHFFFAOYSA-N2,4-DINITROPHENYL 2,2-DIMETHYLPROPANOATE
Database identifiers
- CAS
57025-45-3- PubChem CID
- 545373
- DTXSID
DTXSID10337894
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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