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Azelaic Acid Monoethyl Ester

CAT: 1596-AR-A03113-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A03113-01Size:10 Units
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CAS Number
1593-55-1
Synonyms
9-ethoxy-9-oxononanoic acid; Nonanedioic Acid 1-Ethyl Ester; Azelaic Acid Ethyl Ester; Nonanedioic Acid Monoethyl Ester; 8- (Ethoxycarbonyl) octanoic Acid; Ethyl Hydrogen Azelaate; Monoethyl Nonanedioate
Molecular Formula
C11H20O4
Molecular Weight
216.28
API Name
Azelaic Acid

Chemical Information

9-Ethoxy-9-oxononanoic acid

9-ethoxy-9-oxononanoic acid has been reported in Epichloe typhina and Phleum pratense with data available.

CAS Number1593-55-1
PubChem CID11138510
IUPAC Name9-ethoxy-9-oxononanoic acid
Molecular FormulaC11H20O4
Molecular Weight216.27
XLogP2.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count15
Formal Charge0
Complexity189
SMILES
CCOC(=O)CCCCCCCC(=O)O
InChI
InChI=1S/C11H20O4/c1-2-15-11(14)9-7-5-3-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)
InChIKey
MTRYLAXNDGUFAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Ethoxy-9-oxononanoic acid
CAS: 1593-55-1
CID: 11138510
Formula: C11H20O4
MW: 216.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.27
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass216.13615911
Monoisotopic Mass216.13615911
Topological Polar Surface Area63.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity189
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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