2,2-Dimethyl-5-(4-nitrophenyl)-3,5-dihydrofuro[3,4-b]pyran-4,7-dione
Basic information
- CAS
7467-01-8- Standard SMILES
CC1(C)CC(=O)C2=C(O1)C(=O)OC2c1ccc([N+](=O)[O-])cc1- InChIKey
FLAACZQRBQSNCC-UHFFFAOYSA-N- Molecular formula
- C15H13NO6
- Average molar mass
- 303.27 g/mol
- Monoisotopic mass
- 303.07428713
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-(4-nitrophenyl)-3,5-dihydrofuro[3,4-b]pyran-4,7-dione
- IUPAC
- 2,2-dimethyl-5-(4-nitrophenyl)-3,5-dihydrofuro[3,4-b]pyran-4,7-dione
Names & synonyms
7467-01-8NSC4006282,2-dimethyl-5-(4-nitrophenyl)-3,5-dihydrofuro[3,4-b]pyran-4,7-dioneDTXSID00322178NSC-4006282,2-Dimethyl-5-(4-nitrophenyl)-2H-furo[3,4-b]pyran-4,7(3H,5H)-dione
Database identifiers
- CAS
7467-01-8- PubChem CID
- 343979
- DTXSID
DTXSID00322178
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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