Basic information
- CAS
7142-69-0- Standard SMILES
CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)(Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC- InChIKey
MBHFXCWGKAUFQO-UHFFFAOYSA-N- Molecular formula
- C21H22N2O8
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.13761566
Overview
See also: Diethyl bis(4-nitrobenzyl)malonate (annotation moved to).
Names & identifiers
- Preferred name
- Diethyl 2,2-bis[(4-nitrophenyl)methyl]propanedioate
- IUPAC
- diethyl 2,2-bis[(4-nitrophenyl)methyl]propanedioate
Names & synonyms
7142-69-0diethyl 2,2-bis[(4-nitrophenyl)methyl]propanedioateNSC49663DTXSID40328735NSC-49663AKOS024431258Diethyl 2,2-bis(4-nitrobenzyl)malonateDiethyl bis[(4-nitrophenyl)methyl]propanedioate
Database identifiers
- CAS
7142-69-0- PubChem CID
- 413561
- DTXSID
DTXSID40328735
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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