3-Cyclopentylpropanoic acid, but-3-yn-2yl estera

3-Cyclopentylpropanoic acid, but-3-yn-2yl estera
Compound Structure:
Synonyms: 3-Cyclopentylpropionic acid, but-3-yn-2-yl ester;1-Methyl-2-propynyl 3-cyclopentylpropanoate ;3-cyclopentylpropanoic acid but-3-yn-2yl ester
Compound ID: NMPC-342
PubChem ID:

530608
Molecular Formula: C12H18O2
Canonical SMILES: CC(C#C)OC(=O)CCC1CCCC1
InChIKey: WEHCCFDMIBZMBC-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

194.27 g/mol

XLogP3-AA

3.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

5

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

230

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

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: Anacardium occidentale
Annona senegalensis
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