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Undecanedioic acid

CAT: 0931-T5565-02Size: 2 gDry Ice: NoHazardous: No
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CAT#:0931-T5565-02Size:2 g
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CAS Number
1852-04-6
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9997
Bioactivity
Undecanedioic acid has been found in parts of human aortas with advanced atherosclerotic lesions associated with intercellular matrix macromolecules and specifically with elastin.
Smiles
C(CC(O)=O)CCCCCCCC(O)=O
Molecular Formula
C11H20O4
Molecular Weight
216.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Undecanedioic Acid

Undecanedioic acid is an alpha,-dicarboxylic acid that is nonane with two carboxylic acid groups at positions C-1 and C-9. It has a role as a metabolite. It is a conjugate acid of an undecanedioic acid anion.

CAS Number1852-04-6
PubChem CID15816
IUPAC Nameundecanedioic acid
Molecular FormulaC11H20O4
Molecular Weight216.27
XLogP2.7
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count15
Formal Charge0
Complexity169
SMILES
C(CCCCC(=O)O)CCCCC(=O)O
InChI
InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
InChIKey
LWBHHRRTOZQPDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Undecanedioic Acid
CAS: 1852-04-6
CID: 15816
Formula: C11H20O4
MW: 216.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.27
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass216.13615911
Monoisotopic Mass216.13615911
Topological Polar Surface Area74.6 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