(E)-methyl 2-cyano-3-(5-phenylfuran-2-yl)acrylate
Basic information
- CAS
32888-30-5- Standard SMILES
COC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1- InChIKey
DINNHRVANSTSLO-FMIVXFBMSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- (E)-methyl 2-cyano-3-(5-phenylfuran-2-yl)acrylate
- IUPAC
- methyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate
- English name
- methyl (E)-2-cyano-3-(5-phenylfuran-2-yl)acrylate
- Molecular formula
- C15H11NO3
- Molecular weight
- 253.25
Names & synonyms
32888-30-5(E)-methyl 2-cyano-3-(5-phenylfuran-2-yl)acrylatemethyl (2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoatemethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoateHMS1673C11STK952388AKOS000628128ST50077701F0350-0085methyl (2E)-2-cyano-3-(5-phenyl(2-furyl))prop-2-enoatemethyl (2E)-2-cyano-3-(5-phenyl-2-furyl)-2-propenoatemethyl (E)-2-cyano-3-(5-phenylfuran-2-yl)acrylate
Show more names
2-Cyano-3-(5-phenyl-furan-2-yl)-acrylic acid methyl ester2-Propenoic acid, 2-cyano-3-(5-phenyl-2-furanyl)-, methyl ester
Database identifiers
- CAS
32888-30-5- PubChem CID
- 779538
- EC Number
- 158-543-5
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 419.2 · 419.2±45.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
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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