piperitenone oxide

piperitenone oxide
Compound Structure:
Synonyms: Rotundifolone; Piperitenone oxide; Lippione ;3564-96-3 ;cis-Piperitenone epoxide
Compound ID: NMPC-1421
PubChem ID:

442497
Molecular Formula: C10H14O2
Canonical SMILES: CC(=C1CCC2(C(C1=O)O2)C)C
InChIKey: AKASWINDKIEEBO-ZJUUUORDSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

166.22 g/mol

XLogP3-AA

1.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

166.099379685 g/mol

Monoisotopic Mass

166.099379685 g/mol

Topological Polar Surface Area

29.6Ų

Heavy Atom Count

12

Formal Charge

0

Complexity

274

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colourless solid; Herbaceous minty aroma

Solubility 

Soluble in water,Soluble (in ethanol)

Source: PubChem                      

                                                                                             
Source Species: Tagetes erecta
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