| CAS Number | 2060522-85-0 |
| Catalog Number | AG01C0CP |
| Chemical Name | (2E)-3-[4-(methoxycarbonyl)furan-2-yl]prop-2-enoic acid |
| IUPAC Name | 3-(4-methoxycarbonylfuran-2-yl)prop-2-enoic acid |
| InChI | InChI=1S/C9H8O5/c1-13-9(12)6-4-7(14-5-6)2-3-8(10)11/h2-5H,1H3,(H,10,11) |
| InChI Key | MFYJHNSYMFVVOG-UHFFFAOYSA-N |
| MDL Number | MFCD30497932 |
| Molecular Formula | C9H8O5 |
| Molecular Weight | 196.1568 |
| SMILES | COC(=O)c1cc(oc1)/C=C/C(=O)O |
| Synonyms | 2060522-85-0,
(2E)-3-[4-(methoxycarbonyl)furan-2-yl]prop-2-enoic acid,
(2E)-3-[4-(methoxycarbonyl)furan-2-yl]prop-2-enoic acid, E,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.158g/mol |
| Monoisotopic Mass | 196.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number