1-(Oxetan-3-ylidene)propan-2-one

C6H8O2

1-(Oxetan-3-ylidene)propan-2-one is a chemical compound with molecular formula C6H8O2 and molecular weight 112.13 g/mol .

What is 1-(Oxetan-3-ylidene)propan-2-one?

Molecular Formula
C6H8O2
Molecular Weight
112.13 g/mol

Structure Identifiers

SMILES
CC(=O)C=C1COC1
InChI
InChI=1S/C6H8O2/c1-5(7)2-6-3-8-4-6/h2H,3-4H2,1H3
InChIKey
SWRPBABRNMYQOL-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
112.0524 Da
XLogP
-0.70
TPSA
26.3 Ų
H-Bond Donors
0
H-Bond Acceptors
2
Complexity
129
Formal Charge
0

Safety information

No safety data available for this chemical.

Synonyms (16)

  • CS1989
  • MS-20360
  • SY067898
  • BBL102060
  • DB-003150
  • STL555859
  • CS-0442944
  • F2147-8623
  • 1221819-47-1
  • EN300-342047
  • MFCD18909298
  • AKOS016015649
  • SCHEMBL9918039
  • 1-(Oxetan-3-ylidene)-2-propanone
  • 1-(oxetan-3-ylidene)propan-2-one
  • 2-Propanone, 1-(3-oxetanylidene)-

Frequently asked questions

What is the molecular formula of 1-(Oxetan-3-ylidene)propan-2-one?

1-(Oxetan-3-ylidene)propan-2-one has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol.

What is the SMILES notation for 1-(Oxetan-3-ylidene)propan-2-one?

The SMILES notation for 1-(Oxetan-3-ylidene)propan-2-one is CC(=O)C=C1COC1.

What are other names for 1-(Oxetan-3-ylidene)propan-2-one?

1-(Oxetan-3-ylidene)propan-2-one is also known as 1-(Oxetan-3-ylidene)-2-propanone, 1-(oxetan-3-ylidene)propan-2-one, 1221819-47-1, 2-Propanone, 1-(3-oxetanylidene)-, AKOS016015649.

Data sourced from PubChem CID 46203853. Last updated .

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