| CAS Number | 1423034-98-3 |
| Catalog Number | AG018OKI(AGN-PC-0WOBRW) |
| Chemical Name | 3-(oxolan-3-yl)benzoic acid |
| IUPAC Name | 3-(oxolan-3-yl)benzoic acid |
| InChI | InChI=1S/C11H12O3/c12-11(13)9-3-1-2-8(6-9)10-4-5-14-7-10/h1-3,6,10H,4-5,7H2,(H,12,13) |
| InChI Key | BFDFXYGXUTXWQN-UHFFFAOYSA-N |
| MDL Number | MFCD22741203 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | OC(C1=CC(C2COCC2)=CC=C1)=O |
| Synonyms | 3-(oxolan-3-yl)benzoic acid,
1423034-98-3,
AKOS023573400,
MCULE-7064718917,
NE17020,
F2167-2606,
|
| Complexity | 215 |
| 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