3-4-epoxy-ethanone

3-4-epoxy-ethanone
Compound Structure:
Synonyms: 3,4-EPOXY-2-HEXANONE;17257-81-7;1-(3-ethyloxiran-2-yl)ethanone;2-Hexanone, 3,4-epoxy-;Ethanone, 1-(3-ethyloxiranyl)-;SCHEMBL11880804;DTXSID20864762;1-(3-Ethyl-2-oxiranyl)ethanone #;1-(3-Ethyloxiran-2-yl)ethan-1-one
Compound ID: NMPC-336
PubChem ID:

28430
Molecular Formula: C6H10O2
Canonical SMILES: CCC1C(O1)C(=O)C
InChIKey: MXXCXQDATRPYND-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

114.14 g/mol

XLogP3-AA

0.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

114.068079557 g/mol

Monoisotopic Mass

114.068079557 g/mol

Topological Polar Surface Area

29.6Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

109

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Moringa oleifera
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