| CAS Number | 1363381-04-7 |
| Catalog Number | AG009JTO(AGN-PC-0WA3OJ) |
| Chemical Name | 1-(3-Methyloxetan-3-yl)ethanone |
| IUPAC Name | 1-(3-methyloxetan-3-yl)ethanone |
| InChI | InChI=1S/C6H10O2/c1-5(7)6(2)3-8-4-6/h3-4H2,1-2H3 |
| InChI Key | QDRLIWDQZUUUGX-UHFFFAOYSA-N |
| MDL Number | MFCD19707645 |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.1424 |
| SMILES | CC(C1(C)COC1)=O |
| Synonyms | 1-(3-Methyloxetan-3-yl)ethanone,
1363381-04-7,
1-(3-METHYL-OXETAN-3-YL)ETHANONE,
1-(3-METHYLOXETAN-3-YL)ETHAN-1-ONE,
SCHEMBL7996386,
DTXSID40741763,
KS-000006NR,
MFCD19707645,
ZINC95627673,
AKOS022171932,
DS-5544,
PB19706,
1-(3-METHYL-3-OXETANYL)ETHANONE,
AK136600,
AJ-133028,
ST1020064,
4CH-022346,
CS-0052881,
Q-1599,
|
| Complexity | 114 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number