5-[(4-Cyanophenoxy)methyl]-2-furoic acid
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Basic information
- CAS
500197-21-7- Standard SMILES
N#Cc1ccc(OCc2ccc(C(=O)O)o2)cc1- InChIKey
GBTXBOTVXAHUMP-UHFFFAOYSA-N- Molecular formula
- C13H9NO4
- Average molar mass
- 243.21 g/mol
Names & identifiers
- Preferred name
- 5-[(4-Cyanophenoxy)methyl]-2-furoic acid
- IUPAC
- 5-[(4-cyanophenoxy)methyl]furan-2-carboxylic acid
- English name
- 5-[(4-Cyanophenoxy)methyl]-2-furoic acid
- Molecular formula
- C13H9NO4
- Molecular weight
- 243.21
Names & synonyms
500197-21-75-[(4-cyanophenoxy)methyl]-2-furoic acid5-(4-cyanophenoxymethyl)furan-2-carboxylic acid5-[(4-cyanophenoxy)methyl]furan-2-carboxylic acidMFCD033050762-furancarboxylic acid, 5-[(4-cyanophenoxy)methyl]-5-((4-cyanophenoxy)methyl)furan-2-carboxylic acidMLS001198655CHEMBL1724280HMS2885F23ALBB-009226STK500274
Show more names
STOCK3S-29387AKOS MSC-05865-[(4-cyanophenoxy)methyl]-2-furancarboxylic acid
AKOS000125761LS-03020SMR000558822UNM-0000305937CS-0217111UNM000011075801EN300-676355-(4-cyanophenoxymethyl)furan-2-carboxylicacid
Database identifiers
- CAS
500197-21-7- ChEMBL
CHEMBL1724280
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
Solubility>36.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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