| CAS Number | 1351450-56-0 |
| Catalog Number | AG00HTWN(AGN-PC-0WBR4P) |
| Chemical Name | 3-Benzyloxytetrahydropyran-4-one |
| IUPAC Name | 3-phenylmethoxyoxan-4-one |
| InChI | InChI=1S/C12H14O3/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-5,12H,6-9H2 |
| InChI Key | OCOMMWYINSLHTC-UHFFFAOYSA-N |
| MDL Number | MFCD28155161 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | O=C1C(OCC2=CC=CC=C2)COCC1 |
| Synonyms | 3-(benzyloxy)oxan-4-one,
1351450-56-0,
3-(Benzyloxy)dihydro-2H-pyran-4(3H)-one,
3-Benzyloxytetrahydropyran-4-one,
SCHEMBL1440044,
KS-000007VR,
MFCD28155161,
AKOS025289885,
FCH2907081,
AK171727,
AS-52186,
CS-0051715,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number