Z-Ocimenone

Z-Ocimenone
Compound Structure:
Synonyms: (Z)-Tagetenone; cis-Ocimenone ;(Z)-Ocimenone ;cis-Tagetenone ;33746-71-3
Compound ID: NMPC-1604
PubChem ID:

6428432
Molecular Formula: C10H14O
Canonical SMILES: CC(=CC(=O)C=C(C)C=C)C
InChIKey: XUINKEIPBTYUJP-CLFYSBASSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

150.22 g/mol

XLogP3-AA

3.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

3

Exact Mass

150.104465066 g/mol

Monoisotopic Mass

150.104465066 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

215

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Dioclea reflexa.
Acalypha ornata.
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