Basic information
- CAS
24590-01-0- Standard SMILES
CC(=O)Oc1ccc([N+](=O)[O-])cc1C(OC(C)=O)OC(C)=O- InChIKey
HQLMRSTTXRZOOV-UHFFFAOYSA-N- Molecular formula
- C13H13NO8
- Average molar mass
- 311.24 g/mol
- Monoisotopic mass
- 311.06411637
Names & identifiers
- Preferred name
- [2-(Acetyloxy)-5-nitrophenyl]methanediyl diacetate
- IUPAC
- [2-(diacetyloxymethyl)-4-nitrophenyl] acetate
Names & synonyms
24590-01-0[2-(acetyloxy)-5-nitrophenyl]methanediyl diacetateNSC44549SCHEMBL10079209DTXSID90286270NSC-44549[2-(Acetyloxy)-5-nitrophenyl]methylene diacetate
Database identifiers
- CAS
24590-01-0- PubChem CID
- 239458
- DTXSID
DTXSID90286270- Nikkaji
- J1.128.249K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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