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Dimethyl pimelate

CAT: 0804-HY-W001472-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W001472-01Size:50 g
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Description
Dimethyl pimelate (Pimelic acid dimethyl ester) is an ester product.
CAS Number
1732-08-7
Product Name Alternative
Pimelic acid dimethyl ester
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/dimethyl-pimelate.html
Purity
99.91
Smiles
COC(=O)CCCCCC(=O)OC
Molecular Formula
C9H16O4
Molecular Weight
188.22
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Dimethyl heptanedioate
CAS Number1732-08-7
PubChem CID74416
IUPAC Namedimethyl heptanedioate
Molecular FormulaC9H16O4
Molecular Weight188.22
XLogP1.4
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity147
SMILES
COC(=O)CCCCCC(=O)OC
InChI
InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
InChIKey
SHWINQXIGSEZAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl heptanedioate
CAS: 1732-08-7
CID: 74416
Formula: C9H16O4
MW: 188.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.22
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass188.10485899
Monoisotopic Mass188.10485899
Topological Polar Surface Area52.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity147
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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