| CAS Number | 113122-86-4 |
| Catalog Number | AG0081KV(AGN-PC-00O6UT) |
| Chemical Name | 1-(oxolan-2-yl)-2-phenylethan-1-one |
| IUPAC Name | 1-(oxolan-2-yl)-2-phenylethanone |
| InChI | InChI=1S/C12H14O2/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2 |
| InChI Key | JIXMTHYSMVUUBS-UHFFFAOYSA-N |
| MDL Number | MFCD12782392 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | O=C(C1OCCC1)CC1=CC=CC=C1 |
| Synonyms | 113122-86-4,
Ethanone, 2-phenyl-1-(tetrahydro-2-furanyl)-,
1-(oxolan-2-yl)-2-phenylethanone,
ACMC-20mhiv,
SCHEMBL1515881,
CTK0D0399,
DTXSID40551006,
JIXMTHYSMVUUBS-UHFFFAOYSA-N,
AKOS010311794,
1-(Oxolan-2-yl)-2-phenylethan-1-one,
2-(1-oxo-2-phenylethyl)tetrahydrofuran,
2-phenyl-1-tetrahydro-2-furanylethanone,
2-phenyl-1-(tetrahydrofuran-2-yl)ethanone,
I14-24512,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number