3-formyl-1-methyl-1H-pyrazole-5-carboxylic acid
Structure Info
- Chemspace ID
- CSSS00009883830 (In-Stock Screening Compounds)
- CAS
- 221323-58-6
- MFCD
- MFCD13174857
- IUPAC Name
- 3-formyl-1-methyl-1H-pyrazole-5-carboxylic acid
- Mol formula
- C6H6N2O3
- Mol weight
- 154 Da
- Catalog Number(s)
- A1004150, ACM221323586, AD59471, AT14230, AT14230-0.1G, AT14230-0.25G, BB4LS-EN300-252590, BBV-39782949, BD529894, CS-0372646, CSC009883830, EN300-252590, HY-W247516, JH657835, LN04704801, TX007QOJ, Y3290756, Z1255494707
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.37
- Heavy atoms count
- 11
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 72
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00009883830
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