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Furfuryl pentanoate

CAT: 0931-TYD-02644-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02644-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36701-01-6
Target
Others
Related Pathways
Others
Purity
0.9968
Bioactivity
Furfuryl pentanoate is an ester compound applicable for biochemical experiments and drug synthesis research.
Smiles
O=C(OCC=1OC=CC1)CCCC
Molecular Formula
C10H14O3
Molecular Weight
182.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Furfuryl pentanoate

Furfuryl pentanoate is a fatty acid ester.

CAS Number36701-01-6
PubChem CID61955
IUPAC Namefuran-2-ylmethyl pentanoate
Molecular FormulaC10H14O3
Molecular Weight182.22
XLogP2.1
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity156
SMILES
CCCCC(=O)OCC1=CC=CO1
InChI
InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3
InChIKey
HRYAVTBTUKVHBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Furfuryl pentanoate
CAS: 36701-01-6
CID: 61955
Formula: C10H14O3
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass182.094294304
Monoisotopic Mass182.094294304
Topological Polar Surface Area39.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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