| CAS Number | 926252-81-5 |
| Catalog Number | AG019WJ8 |
| Chemical Name | 3-Methyl-2-(2-methylfuran-3-amido)benzoic acid |
| IUPAC Name | 3-methyl-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid |
| InChI | InChI=1S/C14H13NO4/c1-8-4-3-5-11(14(17)18)12(8)15-13(16)10-6-7-19-9(10)2/h3-7H,1-2H3,(H,15,16)(H,17,18) |
| InChI Key | DGNIOTMWXFAYIO-UHFFFAOYSA-N |
| MDL Number | MFCD09045130 |
| Molecular Formula | C14H13NO4 |
| Molecular Weight | 259.2573 |
| SMILES | CC1=C(C(NC2=C(C(O)=O)C=CC=C2C)=O)C=CO1 |
| Synonyms | 3-methyl-2-(2-methylfuran-3-amido)benzoic acid,
926252-81-5,
3-methyl-2-[(2-methylfuran-3-)amido]benzoic acid,
AC1Q2ET5,
CTK8F5126,
ZINC21960748,
AKOS000128803,
MCULE-3171695546,
NE29686,
EN300-52152,
Z234893685,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.261g/mol |
| Monoisotopic Mass | 259.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number