| CAS Number | 1207175-39-0 |
| Catalog Number | AG0099US(AGN-PC-09TOZP) |
| Chemical Name | 1-(Oxetan-3-yl)propan-2-one |
| IUPAC Name | 1-(oxetan-3-yl)propan-2-one |
| InChI | InChI=1S/C6H10O2/c1-5(7)2-6-3-8-4-6/h6H,2-4H2,1H3 |
| InChI Key | BDJGRLUDPHSZMT-UHFFFAOYSA-N |
| MDL Number | MFCD14586416 |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.1424 |
| SMILES | CC(CC1COC1)=O |
| Synonyms | 1-(oxetan-3-yl)propan-2-one,
1207175-39-0,
1-(3-oxetanyl)-2-Propanone,
1-(3-Oxetanyl)acetone,
SCHEMBL15777293,
0990AD,
MFCD14586416,
ZINC45028285,
AKOS006336772,
AS-46550,
OR302357,
AJ-110278,
AX8294131,
FT-0721859,
ST24037630,
F2147-8624,
1-Oxetan-3-yl-propan-2-one,
C6H10O2,
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| Complexity | 94.7 |
| 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 | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number