Basic information
- CAS
54362-25-3- Standard SMILES
CC(=O)Oc1cc([N+](=O)[O-])ccc1C(OC(C)=O)OC(C)=O- InChIKey
QDNQRFYBDCYWBM-UHFFFAOYSA-N- Molecular formula
- C13H13NO8
- Average molar mass
- 311.24 g/mol
- Monoisotopic mass
- 311.06411637
Names & identifiers
- Preferred name
- 2-Acetoxy-4-nitro-benzaldiacetate
- IUPAC
- [2-(diacetyloxymethyl)-5-nitrophenyl] acetate
- English name
- 2-Acetoxy-4-nitro-benzaldiacetate
- Molecular formula
- C13H13NO8
- Molecular weight
- 311.24
Names & synonyms
2-Acetoxy-4-nitro-benzaldiacetate54362-25-3[2-(diacetyloxymethyl)-5-nitrophenyl] acetate2-acetoxy-4-nitrobenzaldiacetateDTXSID801186320[2-(Acetyloxy)-4-nitrophenyl]methylene diacetateMethanediol, 1-[2-(acetyloxy)-4-nitrophenyl]-, 1,1-diacetate2-Hydroxy-4-nitro-toluene-α,α-diol Triacetate1-[2-(Acetyloxy)-4-nitrophenyl]Methanediol 1,1-Diacetate
Database identifiers
- CAS
54362-25-3- PubChem CID
- 29970596
- DTXSID
DTXSID801186320
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
Physicochemical properties
- solubility
- Chloroform, Dichloromethane, Methanol,
- form
- Powder
- color
- Off-White
Chemistry & industry
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…