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Monomethyl Azelate

CAT: 0127-OR1013911-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1013911-01Size:1 g
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CAS Number
2104-19-0
MDL Number
MFCD00004431
Purity
97%
Smiles
COC(=O)CCCCCCCC(=O)O

Chemical Information

Monomethyl azelate

Methyl hydrogen azelate has been reported in Oryza officinalis with data available.

CAS Number2104-19-0
PubChem CID75009
IUPAC Name9-methoxy-9-oxononanoic acid
Molecular FormulaC10H18O4
Molecular Weight202.25
XLogP1.9
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity177
SMILES
COC(=O)CCCCCCCC(=O)O
InChI
InChI=1S/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)
InChIKey
VVWPSAPZUZXYCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Monomethyl azelate
CAS: 2104-19-0
CID: 75009
Formula: C10H18O4
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass202.12050905
Monoisotopic Mass202.12050905
Topological Polar Surface Area63.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity177
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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Alternative Products

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