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Tetrahydrolachnophyllum lactone

CAT: 0013-GTR19180724Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180724Size:5 mg
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Description
Tetrahydrolachnophyllum lactone (CAS 56407-87-5) is a natural product used in life science research. It serves as a valuable compound for in vitro studies in phytochemistry and natural product chemistry, facilitating investigations into plant-derived metabolite biosynthesis and activity.
CAS Number
56407-87-5
Smiles
CCCC#CCC1CCC (=O) O1
Molecular Formula
C10H14O2
Molecular Weight
166.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tetrahydrolachnophyllum lactone
CAS Number56407-87-5
PubChem CID102004555
IUPAC Name5-hex-2-ynyloxolan-2-one
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP2.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity218
SMILES
CCCC#CCC1CCC(=O)O1
InChI
InChI=1S/C10H14O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-3,6-8H2,1H3
InChIKey
LNUHHJBOQMXWQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydrolachnophyllum lactone
CAS: 56407-87-5
CID: 102004555
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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