| CAS Number | 90048-07-0 |
| Catalog Number | AG01B2OF |
| Chemical Name | 4-(Hydroxymethyl)-5-methylfuran-2-carboxylic acid |
| IUPAC Name | 4-(hydroxymethyl)-5-methylfuran-2-carboxylic acid |
| InChI | InChI=1S/C7H8O4/c1-4-5(3-8)2-6(11-4)7(9)10/h2,8H,3H2,1H3,(H,9,10) |
| InChI Key | KCRPFOPFFMDNKH-UHFFFAOYSA-N |
| MDL Number | MFCD16703380 |
| Molecular Formula | C7H8O4 |
| Molecular Weight | 156.1360 |
| SMILES | CC1=C(CO)C=C(C(O)=O)O1 |
| Synonyms | 4-(hydroxymethyl)-5-methylfuran-2-carboxylic acid,
90048-07-0,
SCHEMBL14200098,
ZINC34552589,
AKOS011557429,
Z2522939860,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.042259g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.14g/mol |
| Monoisotopic Mass | 156.042259g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number