| CAS Number | 4414-47-5 |
| Catalog Number | AG01DSWV |
| Chemical Name | 2-methyl-4-phenylfuran-3-carboxylic acid |
| IUPAC Name | 2-methyl-4-phenylfuran-3-carboxylic acid |
| InChI | InChI=1S/C12H10O3/c1-8-11(12(13)14)10(7-15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14) |
| InChI Key | HVIVYHHWNWNUDT-UHFFFAOYSA-N |
| MDL Number | MFCD24484683 |
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.2060 |
| SMILES | CC1=C(C(O)=O)C(C2=CC=CC=C2)=CO1 |
| Synonyms | 2-METHYL-4-PHENYLFURAN-3-CARBOXYLIC ACID,
4414-47-5,
AKOS024437513,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.209g/mol |
| Monoisotopic Mass | 202.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number