| CAS Number | 1359657-46-7 |
| Catalog Number | AG01B5MQ |
| Chemical Name | 5-(Methoxycarbonyl)-2-methylfuran-3-carboxylic acid |
| IUPAC Name | 5-methoxycarbonyl-2-methylfuran-3-carboxylic acid |
| InChI | InChI=1S/C8H8O5/c1-4-5(7(9)10)3-6(13-4)8(11)12-2/h3H,1-2H3,(H,9,10) |
| InChI Key | NVOLOVXCFVLERG-UHFFFAOYSA-N |
| MDL Number | MFCD01006024 |
| Molecular Formula | C8H8O5 |
| Molecular Weight | 184.1461 |
| SMILES | COC(C1OC(C)=C(C(O)=O)C=1)=O |
| Synonyms | 5-(methoxycarbonyl)-2-methylfuran-3-carboxylic acid,
1359657-46-7,
SCHEMBL3541206,
NVOLOVXCFVLERG-UHFFFAOYSA-N,
AKOS033936270,
ZINC141821078,
5-methyl-furan-2,4dicarboxylic acid-2-methyl ester,
5-methyl-furan-2,4-dicarboxylic acid-2-methyl ester,
Z2521982227,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.147g/mol |
| Monoisotopic Mass | 184.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number