| CAS Number | 423729-45-7 |
| Catalog Number | AG00C5UG(AGN-PC-0WB4ED) |
| Chemical Name | 2-[(5-Methyl-2-furoyl)amino]benzoic acid |
| IUPAC Name | 2-[(5-methylfuran-2-carbonyl)amino]benzoic acid |
| InChI | InChI=1S/C13H11NO4/c1-8-6-7-11(18-8)12(15)14-10-5-3-2-4-9(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17) |
| InChI Key | JWHIXBPRNNMOHQ-UHFFFAOYSA-N |
| MDL Number | MFCD00298104 |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.2307 |
| SMILES | Cc1ccc(o1)C(=O)Nc1ccccc1C(=O)O |
| Synonyms | 423729-45-7,
2-[(5-METHYL-2-FUROYL)AMINO]BENZOIC ACID,
2-[(5-methylfuran-2-carbonyl)amino]benzoic Acid,
CHEMBRDG-BB 5923387,
AC1LGV22,
Cambridge id 5923387,
Oprea1_568954,
CTK4I6091,
DTXSID60358099,
ZINC446208,
MFCD00298104,
AKOS005873837,
MCULE-6359010415,
AJ-22931,
2-(5-Methylfuran-2-carboxamido)benzoic acid,
W-6796,
SR-01000223406,
SR-01000223406-1,
CID877289,
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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 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number