(E)-methyl 4-((2-(2,5-dimethylfuran-3-carbonyl)hydrazono)methyl)benzoate
Basic information
- CAS
304906-63-6- Standard SMILES
COC(=O)c1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1- InChIKey
XYSYYDJCQQFCGI-RQZCQDPDSA-N- Molecular formula
- C16H16N2O4
- Average molar mass
- 300.31 g/mol
- Monoisotopic mass
- 300.111007
Names & identifiers
- Preferred name
- (E)-methyl 4-((2-(2,5-dimethylfuran-3-carbonyl)hydrazono)methyl)benzoate
- IUPAC
- methyl 4-[(E)-[(2,5-dimethylfuran-3-carbonyl)hydrazinylidene]methyl]benzoate
Names & synonyms
(E)-methyl 4-((2-(2,5-dimethylfuran-3-carbonyl)hydrazono)methyl)benzoateMFCD01627615STK090888ZINC33294691AKOS001631366304906-63-6ZINC000000228273COC(=O)c1ccc(cc1)C=NNC(=O)c1cc(oc1C)CCC1=CC(=C(O1)C)C(=O)NN=CC2=CC=C(C=C2)C(=O)OC(E)methyl4((2(25dimethylfuran3carbonyl)hydrazono)methyl)benzoatemethyl 4-{(E)-[(2,5-dimethyl-3-furoyl)hydrazono]methyl}benzoateMETHYL4((E)((25DIMETHYLFURAN3CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOATE
Show more names
METHYL4((E)(2((25DIMETHYLFURAN3YL)CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOATE
Database identifiers
- CAS
304906-63-6- PubChem CID
- 5336477
- EC Number
- 157-568-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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