| CAS Number | 114932-86-4 |
| Catalog Number | AG0097AY(AGN-PC-03ET6M) |
| Chemical Name | Ethanone, 1-(tetrahydro-3-furanyl)- (9CI) |
| IUPAC Name | 1-(oxolan-3-yl)ethanone |
| InChI | InChI=1S/C6H10O2/c1-5(7)6-2-3-8-4-6/h6H,2-4H2,1H3 |
| InChI Key | HJYVFFLYCSUEOE-UHFFFAOYSA-N |
| MDL Number | MFCD18366122 |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.1424 |
| SMILES | CC(=O)C1COCC1 |
| Synonyms | 1-(oxolan-3-yl)ethan-1-one,
114932-86-4,
1-(oxolan-3-yl)ethanone,
Ethanone, 1-(tetrahydro-3-furanyl)-,
Ethanone, 1-(tetrahydro-3-furanyl)- (9CI),
Tetrahydrofuran-3-yl)ethanone,
SCHEMBL5084320,
AKOS012871658,
CS-W004273,
MCULE-2105633909,
NE16289,
SB13800,
FT-0723516,
EN300-85177,
Z1346370657,
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| Complexity | 98.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.144g/mol |
| Monoisotopic Mass | 114.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number