| CAS Number | 1446140-97-1 |
| Catalog Number | AG01BJA2 |
| Chemical Name | (2E)-2-cyano-3-(furan-3-yl)prop-2-enoic acid |
| IUPAC Name | 2-cyano-3-(furan-3-yl)prop-2-enoic acid |
| InChI | InChI=1S/C8H5NO3/c9-4-7(8(10)11)3-6-1-2-12-5-6/h1-3,5H,(H,10,11) |
| InChI Key | QSMBMDUBGAVDIF-UHFFFAOYSA-N |
| MDL Number | MFCD31456976 |
| Molecular Formula | C8H5NO3 |
| Molecular Weight | 163.1302 |
| SMILES | OC(/C(/C#N)=C/C1=COC=C1)=O |
| Synonyms | 2-cyano-3-(furan-3-yl)prop-2-enoic acid,
1446140-97-1,
(2E)-2-Cyano-3-(furan-3-yl)prop-2-enoic acid, E,
AKOS017334015,
MCULE-8069681853,
Z1070463386,
1344648-93-6,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.132g/mol |
| Monoisotopic Mass | 163.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number