trans-sabinyl acetate

trans-sabinyl acetate
Compound Structure:
Synonyms: trans-Sabinyl acetate ;(E)-Sabinyl acetate ; Q67880183
Compound ID: NMPC-1558
PubChem ID:

6430313
Molecular Formula: C12H18O2
Canonical SMILES: CC(C)C12CC1C(=C)C(C2)OC(=O)C
InChIKey: PBWRFXQNNGSAQG-GLXQMMQGSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

194.27 g/mol

XLogP3-AA

2.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

3

Exact Mass

194.130679813 g/mol

Monoisotopic Mass

194.130679813 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

293

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Eucalyptus tereticornis
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