Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate
Basic information
- CAS
5345-38-0- Standard SMILES
COC(=O)C(CCc1ccc([N+](=O)[O-])cc1)(CCc1ccc([N+](=O)[O-])cc1)C(=O)OC- InChIKey
YCGYNSKARBTTLL-UHFFFAOYSA-N- Molecular formula
- C21H22N2O8
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.13761566
Names & identifiers
- Preferred name
- Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate
- IUPAC
- dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate
Names & synonyms
5345-38-0dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioateNSC3035DTXSID10328166NSC-3035Dimethyl bis[2-(4-nitrophenyl)ethyl]propanedioate
Database identifiers
- CAS
5345-38-0- PubChem CID
- 407226
- DTXSID
DTXSID10328166
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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