| CAS Number | 29037-77-2 |
| Catalog Number | AG019X4T |
| Chemical Name | 2-[4-(1-Benzofuran-2-amido)phenyl]acetic acid |
| IUPAC Name | 2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetic acid |
| InChI | InChI=1S/C17H13NO4/c19-16(20)9-11-5-7-13(8-6-11)18-17(21)15-10-12-3-1-2-4-14(12)22-15/h1-8,10H,9H2,(H,18,21)(H,19,20) |
| InChI Key | DHAXIWDRNDXVNO-UHFFFAOYSA-N |
| MDL Number | MFCD07113723 |
| Molecular Formula | C17H13NO4 |
| Molecular Weight | 295.2894 |
| SMILES | OC(CC1=CC=C(NC(C2OC3=C(C=CC=C3)C=2)=O)C=C1)=O |
| Synonyms | 2-[4-(1-benzofuran-2-amido)phenyl]acetic acid,
29037-77-2,
AC1Q74Y0,
CTK7J2293,
ZINC20533935,
AKOS000105210,
MCULE-9635068594,
NE21403,
EN300-54044,
Z224199212,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.294g/mol |
| Monoisotopic Mass | 295.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number