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Cyclopropyl methyl ketone

Catalog Number ACM765435
CAS 765-43-5
Structure {[CurrentData.Name]}
IUPAC Name 1-cyclopropylethanone
Synonyms Ethanone, 1-cyclopropyl-;cyclopropyl m-nitrophenyl ketone;cyclopropyl meta-nitrophenyl ketone;acetylcyclopropane;Cyclopropyl methylketone
Molecular Weight 84.12g/mol
Molecular Formula C5H8O
Canonical SMILES CC(=O)C1CC1
InChI InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3
InChI Key HVCFCNAITDHQFX-UHFFFAOYSA-N
Boiling Point 111.3 °C
Melting Point <-70ºC
Flash Point 21ºC
Density 0.903
Appearance Clear colorless to very slightly yellow liquid
Complexity 72
Covalently-Bonded Unit Count 1
EC Number 212-146-4
Exact Mass 84.057514874g/mol
Heavy Atom Count 6
Hydrogen Bond Acceptor Count 1
Log P 0.98540
MDL Number MFCD00001297
Monoisotopic Mass 84.057514874g/mol
NSC Number 1940
PSA 17.7
Refractive Index 1.422-1.426
Rotatable Bond Count 1
Stability Stable under normal temperatures and pressures.
Topological Polar Surface Area 17.1Ų
UNII N27YY1XCFH
WGK Germany 3
X Log P3 0.5
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