| CAS Number | 132681-13-1 |
| Catalog Number | AG0010ZW(AGN-PC-002KDR) |
| Chemical Name | 3-(Oxan-2-yloxy)phenol |
| IUPAC Name | 3-(oxan-2-yloxy)phenol |
| InChI | InChI=1S/C11H14O3/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11-12H,1-2,6-7H2 |
| InChI Key | GJUOPDUXKZYZLB-UHFFFAOYSA-N |
| MDL Number | MFCD24714306 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | OC1=CC(OC2OCCCC2)=CC=C1 |
| Synonyms | 132681-13-1,
Phenol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-,
3-(tetrahydro-2H-pyran-2-yl)oxyphenol,
ACMC-20mum4,
3-[(Oxan-2-yl)oxy]phenol,
CTK0F4985,
DTXSID40564075,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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