3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanenitrile
Structure Info
- Chemspace ID
- CSSB00011246173 (In-Stock Building Blocks)
- MFCD
- MFCD09745922
- IUPAC Name
- 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanenitrile
- Mol formula
- C11H9NO3
- Mol weight
- 203 Da
- Catalog Number(s)
- 9272042, A551926, BB54-4925, BBV-223556, CSC011246173, FCH000599, OSSL_673390, SC-39283, SC-62179, STL387019, UZI/2670215
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.99
- Heavy atoms count
- 15
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 59
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00011246173
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