| CAS Number | 54576-44-2 |
| Catalog Number | AG00DCTZ(AGN-PC-0LGFK7) |
| Chemical Name | 2-Methyl-3,4-furandicarboxylic acid |
| IUPAC Name | 2-methylfuran-3,4-dicarboxylic acid |
| InChI | InChI=1S/C7H6O5/c1-3-5(7(10)11)4(2-12-3)6(8)9/h2H,1H3,(H,8,9)(H,10,11) |
| InChI Key | DMVWTHJBGHANLQ-UHFFFAOYSA-N |
| MDL Number | MFCD06253869 |
| Molecular Formula | C7H6O5 |
| Molecular Weight | 170.1195 |
| SMILES | O=C(C1=C(C)OC=C1C(O)=O)O |
| Synonyms | 2-methylfuran-3,4-dicarboxylic Acid,
54576-44-2,
2-methyl-3,4-furandicarboxylic acid,
3,4-Furandicarboxylic acid, 2-methyl-,
AC1NHC0W,
SCHEMBL473470,
CTK1E3110,
DTXSID40406163,
ZINC4228063,
ZX-AL000581,
ZX-CM005635,
FCH835966,
MFCD06253869,
AKOS000320076,
AJ-49160,
Y-2158,
CID4737732,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.12g/mol |
| Monoisotopic Mass | 170.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
|
Signal Words
|
|
Certificate of Analysis
Lot Number