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Diethyl Pimelate

CAT: 0572-TRC-D444833-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D444833-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2050-20-6
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (GC)
Smiles
CCOC(=O)CCCCCC(=O)OCC
Molecular Formula
C11H20O4
Molecular Weight
216.27
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Diethyl pimelate
CAS Number2050-20-6
PubChem CID16300
IUPAC Namediethyl heptanedioate
Molecular FormulaC11H20O4
Molecular Weight216.27
XLogP1.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count15
Formal Charge0
Complexity169
SMILES
CCOC(=O)CCCCCC(=O)OCC
InChI
InChI=1S/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3
InChIKey
LKKOGZVQGQUVHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl pimelate
CAS: 2050-20-6
CID: 16300
Formula: C11H20O4
MW: 216.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.27
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass216.13615911
Monoisotopic Mass216.13615911
Topological Polar Surface Area52.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity169
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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