Basic information
- CAS
594818-94-7- Standard SMILES
COC(=O)C(CCC(=O)CC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC- InChIKey
FGEJDMJDAOMWIL-UHFFFAOYSA-N- Molecular formula
- C17H19NO8
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 365.11106656
Names & identifiers
- Preferred name
- Dimethyl [6-(4-nitrophenyl)-3,5-dioxohexyl]propanedioate
- IUPAC
- dimethyl 2-[6-(4-nitrophenyl)-3,5-dioxohexyl]propanedioate
Names & synonyms
594818-94-7Dimethyl [6-(4-nitrophenyl)-3,5-dioxohexyl]propanedioateDTXSID60787143
Database identifiers
- CAS
594818-94-7- PubChem CID
- 71363628
- DTXSID
DTXSID60787143
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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