| CAS Number | 6774-47-6 |
| Catalog Number | AG00IBR2(AGN-PC-0IFPZZ) |
| Chemical Name | 2-Phenylbenzofuran-3-carboxylic acid |
| IUPAC Name | 2-phenyl-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C15H10O3/c16-15(17)13-11-8-4-5-9-12(11)18-14(13)10-6-2-1-3-7-10/h1-9H,(H,16,17) |
| InChI Key | GUUYLMTUBSOVGL-UHFFFAOYSA-N |
| MDL Number | MFCD22573795 |
| Molecular Formula | C15H10O3 |
| Molecular Weight | 238.2381 |
| SMILES | OC(=O)C1=C(OC2=C1C=CC=C2)C1=CC=CC=C1 |
| Synonyms | 2-PHENYLBENZOFURAN-3-CARBOXYLIC ACID,
6774-47-6,
SCHEMBL5579331,
MFCD22573795,
ZINC91691835,
3-benzo[b]furancarboxylic acid,2-phenyl-,
AS-37576,
3-benzofurancarboxylic acid,2-phenyl-,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.242g/mol |
| Monoisotopic Mass | 238.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number