α-fenchyl acetate

α-fenchyl acetate
Compound Structure:
Synonyms: .alpha.-Fenchyl acetate; alpha-Fenchyl acetate .alpha.-Fenchyl acetate, endo ;SCHEMBL18076323
Compound ID: NMPC-1628
PubChem ID:

6427102
Molecular Formula: C12H20O2
Canonical SMILES: CC(=O)OC1C(C2CCC1(C2)C)(C)C
InChIKey: JUWUWIGZUVEFQB-SQLBVSGCSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

196.29 g/mol

XLogP3-AA

3.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

196.146329876 g/mol

Monoisotopic Mass

196.146329876 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

270

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

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: Eucalyptus tereticornis
Tagetes erecta
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