| CAS Number | 1208920-16-4 |
| Catalog Number | AG019XOJ |
| Chemical Name | 4-(4-Hydroxyphenyl)oxane-4-carboxylic acid |
| IUPAC Name | 4-(4-hydroxyphenyl)oxane-4-carboxylic acid |
| InChI | InChI=1S/C12H14O4/c13-10-3-1-9(2-4-10)12(11(14)15)5-7-16-8-6-12/h1-4,13H,5-8H2,(H,14,15) |
| InChI Key | PJUGDZUGVQWBNN-UHFFFAOYSA-N |
| MDL Number | MFCD13196243 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | OC(C1(C2=CC=C(O)C=C2)CCOCC1)=O |
| Synonyms | 4-(4-hydroxyphenyl)oxane-4-carboxylic acid,
1208920-16-4,
CTK7I5838,
AC1Q7219,
ZINC38342453,
AKOS022929347,
MCULE-9835735685,
NE55553,
EN300-55615,
Z1255523346,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number