| CAS Number | 1293265-45-8 |
| Catalog Number | AG01A1IC |
| Chemical Name | 4-(benzyloxy)oxane-4-carboxylic acid |
| IUPAC Name | 4-phenylmethoxyoxane-4-carboxylic acid |
| InChI | InChI=1S/C13H16O4/c14-12(15)13(6-8-16-9-7-13)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15) |
| InChI Key | OVBNUUMAZBAULI-UHFFFAOYSA-N |
| MDL Number | MFCD13447182 |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.2637 |
| SMILES | OC(C1(OCC2=CC=CC=C2)CCOCC1)=O |
| Synonyms | 4-(benzyloxy)oxane-4-carboxylic acid,
1293265-45-8,
4-(Benzyloxy)tetrahydro-2H-pyran-4-carboxylic acid,
SCHEMBL16057453,
ZINC41921812,
AKOS016908607,
MCULE-1923564480,
NE29364,
Z1474026102,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.267g/mol |
| Monoisotopic Mass | 236.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number