| CAS Number | 1340107-48-3 |
| Catalog Number | AG01ASAU |
| Chemical Name | 2-(furan-3-yl)benzoic acid |
| IUPAC Name | 2-(furan-3-yl)benzoic acid |
| InChI | InChI=1S/C11H8O3/c12-11(13)10-4-2-1-3-9(10)8-5-6-14-7-8/h1-7H,(H,12,13) |
| InChI Key | CISJARHLTJWRBM-UHFFFAOYSA-N |
| MDL Number | MFCD19612436 |
| Molecular Formula | C11H8O3 |
| Molecular Weight | 188.1794 |
| SMILES | OC(C1=C(C2=COC=C2)C=CC=C1)=O |
| Synonyms | 2-(furan-3-yl)benzoic acid,
1340107-48-3,
SCHEMBL1648700,
ZINC68978177,
AKOS013264003,
F2167-0762,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.182g/mol |
| Monoisotopic Mass | 188.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number