Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(C2OCCc3cc4c(cc32)OCO4)cc1- InChIKey
WOISGZSHUNCUDH-UHFFFAOYSA-N- Molecular formula
- C16H13NO5
- Average molar mass
- 299.28 g/mol
- Monoisotopic mass
- 299.07937252
Names & identifiers
- Preferred name
- 5-(4-Nitrophenyl)-1,3-dioxolo[4,5-g]-isochroman
- IUPAC
- 5-(4-nitrophenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isochromene
Names & synonyms
NSC720377SCHEMBL7237281WOISGZSHUNCUDH-UHFFFAOYSA-NNSC-7203775-(4-Nitrophenyl)-1,3-dioxolo[4,5-g]-isochroman
Database identifiers
- PubChem CID
- 404210
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Related reactions
3 records
Compound notes
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