Structure Info
- Chemspace ID
- CSSB00010353439 (In-Stock Building Blocks)
- CAS
- 960234-95-1
- MFCD
- MFCD22070348, MFCD27935049
- IUPAC Name
- methyl 3-cyano-1H-pyrazole-5-carboxylate
- Mol formula
- C6H5N3O2
- Mol weight
- 151 Da
- Catalog Number(s)
- BBV-43551858, BBV-77601883, CSC010353439, CSC015486849, D639668, EN300-3178176, FCH1595510, FCH3835364, Y0998243, ZXC081672
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.44
- Heavy atoms count
- 11
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 79
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00010353439
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