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R-(-)-Arundic Acid

CAT: 0572-TRC-A779500-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A779500-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
185517-21-9
Hazard Statement
Harmful if swallowed.
Smiles
CCCCCC[C@@H](CCC)C(=O)O
Molecular Formula
C11 H22 O2
Molecular Weight
186.29
InChI
InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
Additionnal Information
IUPAC name: (2R)-2-propyloctanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(R)-(-)-2-propyloctanoic acid

Arundic acid has been investigated for the treatment of Amyotrophic Lateral Sclerosis (ALS).

CAS Number185517-21-9
PubChem CID208925
IUPAC Name(2R)-2-propyloctanoic acid
Molecular FormulaC11H22O2
Molecular Weight186.29
XLogP3.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity132
SMILES
CCCCCC[C@@H](CCC)C(=O)O
InChI
InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKey
YCYMCMYLORLIJX-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of (R)-(-)-2-propyloctanoic acid
CAS: 185517-21-9
CID: 208925
Formula: C11H22O2
MW: 186.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.29
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass186.161979940
Monoisotopic Mass186.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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