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Furan-2-ylmethyl hexadecanoate

CAT: 1266-JH593558Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH593558Size:1 Each
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CAS Number
95668-36-3
HS Code
2933990099
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C21H36O3
Molecular Weight
336.51
Product Name Synonym
UNII-N58X60SW4V
Safety Statements
S23; S26; S36/37/39; S45

Chemical Information

Furfuryl palmitate

structure in first source

CAS Number95668-36-3
PubChem CID9859016
IUPAC Namefuran-2-ylmethyl hexadecanoate
Molecular FormulaC21H36O3
Molecular Weight336.5
XLogP8
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count24
Formal Charge0
Complexity291
SMILES
CCCCCCCCCCCCCCCC(=O)OCC1=CC=CO1
InChI
InChI=1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(22)24-19-20-16-15-18-23-20/h15-16,18H,2-14,17,19H2,1H3
InChIKey
SLLQRHYFOLOLLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Furfuryl palmitate
CAS: 95668-36-3
CID: 9859016
Formula: C21H36O3
MW: 336.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.5
XLogP38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass336.26644501
Monoisotopic Mass336.26644501
Topological Polar Surface Area39.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity291
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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