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Decanedioic acid

CAT: 0931-T3732-06Size: 50 gDry Ice: NoHazardous: No
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CAT#:0931-T3732-06Size:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111-20-6
Target
HIV Protease, Endogenous Metabolite
Related Pathways
Metabolism, Proteases/Proteasome, Microbiology/Virology
Purity
0.9973
Bioactivity
Decanedioic acid (Sebacinsaure) is a saturated, straight-chain naturally occurring dicarboxylic acid.
Smiles
C(CC(O)=O)CCCCCCC(O)=O
Molecular Formula
C10H18O4
Molecular Weight
202.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sebacic Acid

Sebacic acid is an alpha,-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane. It has a role as a plant metabolite and a human metabolite. It is a dicarboxylic fatty acid and an alpha,omega-dicarboxylic acid. It is a conjugate acid of a sebacate and a sebacate(2-). It derives from a hydride of a decane.

CAS Number111-20-6
PubChem CID5192
IUPAC Namedecanedioic acid
Molecular FormulaC10H18O4
Molecular Weight202.25
XLogP2.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity157
SMILES
C(CCCCC(=O)O)CCCC(=O)O
InChI
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKey
CXMXRPHRNRROMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sebacic Acid
CAS: 111-20-6
CID: 5192
Formula: C10H18O4
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass202.12050905
Monoisotopic Mass202.12050905
Topological Polar Surface Area74.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity157
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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