| CAS Number | 938143-64-7 |
| Catalog Number | AG01A8A3 |
| Chemical Name | 5-methyl-4-(phenoxymethyl)furan-2-carboxylic acid |
| IUPAC Name | 5-methyl-4-(phenoxymethyl)furan-2-carboxylic acid |
| InChI | InChI=1S/C13H12O4/c1-9-10(7-12(17-9)13(14)15)8-16-11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H,14,15) |
| InChI Key | AYYNONLALKSFOE-UHFFFAOYSA-N |
| MDL Number | MFCD09705513 |
| Molecular Formula | C13H12O4 |
| Molecular Weight | 232.2320 |
| SMILES | CC1=C(COC2=CC=CC=C2)C=C(C(O)=O)O1 |
| Synonyms | 5-methyl-4-(phenoxymethyl)furan-2-carboxylic acid,
938143-64-7,
AC1Q2FD0,
CTK6C5366,
ZINC11960122,
AKOS011323281,
MCULE-7223362508,
NE46631,
EN300-61132,
Z992717070,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.235g/mol |
| Monoisotopic Mass | 232.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number