| CAS Number | 209853-87-2 |
| Catalog Number | AG01B2OE(AGN-PC-0CLK3Q) |
| Chemical Name | Methyl 4-(hydroxymethyl)-5-methylfuran-2-carboxylate |
| IUPAC Name | methyl 4-(hydroxymethyl)-5-methylfuran-2-carboxylate |
| InChI | InChI=1S/C8H10O4/c1-5-6(4-9)3-7(12-5)8(10)11-2/h3,9H,4H2,1-2H3 |
| InChI Key | WMMLKFQIKWKPCQ-UHFFFAOYSA-N |
| MDL Number | MFCD28362918 |
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.1626 |
| SMILES | COC(C1OC(C)=C(CO)C=1)=O |
| Synonyms | 209853-87-2,
methyl 4-(hydroxymethyl)-5-methylfuran-2-carboxylate,
methyl 4-hydroxymethyl-5-methylfuran-2-carboxylate,
SCHEMBL3534389,
WMMLKFQIKWKPCQ-UHFFFAOYSA-N,
ZINC140553163,
SB18002,
4-Hydroxymethyl-5-methyl-furan-2-carboxylic acid methyl ester,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.164g/mol |
| Monoisotopic Mass | 170.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number