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Basic information
- Standard SMILES
C=C(C)COc1c(C)cc(C)cc1[N+](=O)[O-]- InChIKey
UIXKOTHLIILIDV-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 1,5-Dimethyl-2-(2-methylprop-2-enoxy)-3-nitrobenzene
- IUPAC
- 1,5-dimethyl-2-(2-methylprop-2-enoxy)-3-nitrobenzene
Names & synonyms
NSC172512NSC-172512
Database identifiers
- PubChem CID
- 299443
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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