5-[(3,4-Dimethylphenoxy)methyl]-2-furancarboxylic acid hydrazide
Basic information
- CAS
406470-86-8- Standard SMILES
Cc1ccc(OCc2ccc(C(=O)NN)o2)cc1C- InChIKey
FDSCRLSVKLOFBT-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- 5-[(3,4-Dimethylphenoxy)methyl]-2-furancarboxylic acid hydrazide
- IUPAC
- 5-[(3,4-dimethylphenoxy)methyl]furan-2-carbohydrazide
- English name
- 5-[(3,4-dimethylphenoxy)methyl]-2-furohydrazide
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
406470-86-85-[(3,4-Dimethylphenoxy)methyl]-2-furancarboxylic acid hydrazide5-((3,4-Dimethylphenoxy)methyl)-2-furancarboxylic acid hydrazideRefChem:2990835-((3,4-Dimethylphenoxy)methyl)furan-2-carbohydrazide5-[(3,4-dimethylphenoxy)methyl]furan-2-carbohydrazide5-(3,4-Dimethyl-phenoxymethyl)-furan-2-carboxylic acid hydrazideMFCD02055846Oprea1_192336MLS000767920CHEMBL1500540DTXSID501171582
Show more names
5-[(3,4-dimethylphenoxy)methyl]-2-furohydrazide2-Furancarboxylic acid, 5-[(3,4-dimethylphenoxy)methyl]-, hydrazide
HMS2782C11SBB000989STK346669AKOS000304198SMR000431242ST025927CS-0281487EN300-227829
Database identifiers
- CAS
406470-86-8- PubChem CID
- 717044
- DTXSID
DTXSID501171582- ChEMBL
CHEMBL1500540
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
Solubility25.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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