| CAS Number | 1438382-08-1 |
| Catalog Number | AG01AS7F |
| Chemical Name | 4-(Tetrahydrofuran-3-yl)benzoic acid |
| IUPAC Name | 4-(oxolan-3-yl)benzoic acid |
| InChI | InChI=1S/C11H12O3/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-4,10H,5-7H2,(H,12,13) |
| InChI Key | VYZCMKNCOWQPAD-UHFFFAOYSA-N |
| MDL Number | MFCD28166090 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | O=C(O)C1=CC=C(C2COCC2)C=C1 |
| Synonyms | 4-(oxolan-3-yl)benzoic acid,
4-(tetrahydrofuran-3-yl)benzoic acid,
1438382-08-1,
SCHEMBL14967301,
VYZCMKNCOWQPAD-UHFFFAOYSA-N,
AKOS023573399,
F2167-2605,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number