| CAS Number | 54583-69-6 |
| Catalog Number | AG01A3VU(AGN-PC-0JYJEL) |
| Chemical Name | 2,5-Dimethylfuran-3-carbaldehyde |
| IUPAC Name | 2,5-dimethylfuran-3-carbaldehyde |
| InChI | InChI=1S/C7H8O2/c1-5-3-7(4-8)6(2)9-5/h3-4H,1-2H3 |
| InChI Key | RIMWBHRVGAHGNE-UHFFFAOYSA-N |
| MDL Number | MFCD04403314 |
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.1372 |
| SMILES | CC1OC(C)=C(C=O)C=1 |
| Synonyms | 2,5-dimethylfuran-3-carbaldehyde,
54583-69-6,
AC1LIJT5,
SCHEMBL766908,
RIMWBHRVGAHGNE-UHFFFAOYSA-N,
ZINC562179,
AKOS003934010,
NE42928,
2,5-dimethylfuran-3-carboxaldehyde, AldrichCPR,
F2148-0238,
CID956041,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.139g/mol |
| Monoisotopic Mass | 124.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number