| CAS Number | 19679-84-6 |
| Catalog Number | AG01C7BW(AGN-PC-01WGC4) |
| Chemical Name | 2-phenyltetrahydrofuran-2-carboxylic acid |
| IUPAC Name | 2-phenyloxolane-2-carboxylic acid |
| InChI | InChI=1S/C11H12O3/c12-10(13)11(7-4-8-14-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13) |
| InChI Key | XYCFRUQFTPLHSD-UHFFFAOYSA-N |
| MDL Number | MFCD20656728 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | OC(C1(C2=CC=CC=C2)OCCC1)=O |
| Synonyms | 19679-84-6,
2-Phenyl-2-tetrahydrofuroic Acid,
2-phenyltetrahydrofuran-2-carboxylic acid,
SCHEMBL4829823,
XYCFRUQFTPLHSD-UHFFFAOYSA-N,
AKOS027321594,
phenyl tetrahydrofuran-2-carboxylate,
1-methyl-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid,
|
| Complexity | 221 |
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number