Structure Info
- Chemspace ID
- CSSB00000698881 (In-Stock Building Blocks)
- CAS
- 217197-03-0
- MFCD
- MFCD24842985
- IUPAC Name
- 2,5,5-trimethyl-2-(2-methyl-5-nitrophenyl)-1,3-dioxane
- Mol formula
- C14H19NO4
- Mol weight
- 265 Da
- Catalog Number(s)
- A1035261, BD01012488, CSC000698881, EN300-129488, SIA19703, Y4018021
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.69
- Heavy atoms count
- 19
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.571
- Polar surface area (Å)
- 62
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00000698881
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