(3,4-Dimethoxyphenyl)methyl 4-nitrophenyl carbonate
Basic information
- CAS
31558-54-0- Standard SMILES
COc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC- InChIKey
BPYVQAGJSDGGCV-UHFFFAOYSA-N- Molecular formula
- C16H15NO7
- Average molar mass
- 333.29 g/mol
- Monoisotopic mass
- 333.08485182
Names & identifiers
- Preferred name
- (3,4-Dimethoxyphenyl)methyl 4-nitrophenyl carbonate
- IUPAC
- (3,4-dimethoxyphenyl)methyl (4-nitrophenyl) carbonate
Names & synonyms
31558-54-0NSC171055(3,4-Dimethoxyphenyl)methyl 4-nitrophenyl carbonateSCHEMBL5022220DTXSID40305541NSC-171055
Database identifiers
- CAS
31558-54-0- PubChem CID
- 298740
- DTXSID
DTXSID40305541
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
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Related reactions
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Compound notes
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