Dimethyl 4,4-dinitroheptanedioate
Basic information
- CAS
14826-50-7- Standard SMILES
COC(=O)CCC(CCC(=O)OC)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
HOIDOAUGWVNMMM-UHFFFAOYSA-N- Molecular formula
- C9H14N2O8
- Average molar mass
- 278.22 g/mol
- Monoisotopic mass
- 278.07501541
Names & identifiers
- Preferred name
- Dimethyl 4,4-dinitroheptanedioate
- IUPAC
- dimethyl 4,4-dinitroheptanedioate
- English name
- dimethyl 4,4-dinitroheptanedioate
- Molecular formula
- C9H14N2O8
- Molecular weight
- 278.22
Names & synonyms
dimethyl 4,4-dinitroheptanedioate14826-50-7DTXSID90280273RefChem:338586DTXCID90231427DIMETHYL 4,4-DINITROPIMELATENSC16193Heptanedioic acid,4,4-dinitro-, 1,7-dimethyl esterNSC-16193DS-001276Heptanedioic acid, 4,4-dinitro-, 1,7-dimethyl ester
Database identifiers
- CAS
14826-50-7- PubChem CID
- 226097
- DTXSID
DTXSID90280273
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 46 °C · 46 °C
- Boiling point
- 396.6 · 396.6±42.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- Comptox DTXSID
- 90280273 · DTXSID90280273
- HS Code
- 2917190090 · 2917190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2917190090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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