Dimethyl 2-({4-nitrobenzoyl}oxy)malonate
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Basic information
- CAS
18196-78-6- Standard SMILES
COC(=O)C(OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC- InChIKey
BJRRPXUOQKHNNL-UHFFFAOYSA-N- Molecular formula
- C12H11NO8
- Average molar mass
- 297.22 g/mol
- Monoisotopic mass
- 297.04846631
Names & identifiers
- Preferred name
- Dimethyl 2-({4-nitrobenzoyl}oxy)malonate
- IUPAC
- dimethyl 2-(4-nitrobenzoyl)oxypropanedioate
- English name
- dimethyl 2-({4-nitrobenzoyl}oxy)malonate
- Molecular formula
- C12H11NO8
- Molecular weight
- 297.21764
Names & synonyms
dimethyl 2-({4-nitrobenzoyl}oxy)malonate18196-78-6dimethyl 2-(4-nitrobenzoyl)oxypropanedioateAO-164/42302621
Database identifiers
- CAS
18196-78-6- PubChem CID
- 848520
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
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Compound notes
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