| CAS Number | 435288-00-9 |
| Catalog Number | AG00DD2U(AGN-PC-0WB4Y1) |
| Chemical Name | 4-(2-Furoylamino)-3-methylbenzoic acid |
| IUPAC Name | 4-(furan-2-carbonylamino)-3-methylbenzoic acid |
| InChI | InChI=1S/C13H11NO4/c1-8-7-9(13(16)17)4-5-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17) |
| InChI Key | CZJAOOFHZPRODD-UHFFFAOYSA-N |
| MDL Number | MFCD07357963 |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.2307 |
| SMILES | C(=O)(C1=CC=CO1)NC1C=CC(=CC=1C)C(O)=O |
| Synonyms | 4-(2-FUROYLAMINO)-3-METHYLBENZOIC ACID,
435288-00-9,
4-(Furan-2-carboxamido)-3-methylbenzoic acid,
AC1MGV1F,
Oprea1_686069,
CTK4I7396,
DTXSID50388002,
ZINC5050305,
MFCD07357963,
AKOS000105247,
MCULE-8279882888,
AJ-53043,
Y-2779,
4-(furan-2-carbonylamino)-3-methylbenzoic acid,
CID2967092,
4-(furan-2-carbonylamino)-3-methyl-benzoic Acid,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.234g/mol |
| Monoisotopic Mass | 245.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number