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Methyl 3-hydroxynonanoate

CAT: 0804-HY-W411236-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W411236-01Size:100 mg
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Description
Methyl 3-hydroxynonanoate is an ester product.
CAS Number
83968-06-3
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/methyl-3-hydroxynonanoate.html
Smiles
CCCCCCC(O)CC(OC)=O
Molecular Formula
C10H20O3
Molecular Weight
188.26
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
Phase 3

Chemical Information

Methyl 3-hydroxynonanoate
CAS Number83968-06-3
PubChem CID11830182
IUPAC Namemethyl 3-hydroxynonanoate
Molecular FormulaC10H20O3
Molecular Weight188.26
XLogP2.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity134
SMILES
CCCCCCC(CC(=O)OC)O
InChI
InChI=1S/C10H20O3/c1-3-4-5-6-7-9(11)8-10(12)13-2/h9,11H,3-8H2,1-2H3
InChIKey
KHCQOQFCKCGHHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-hydroxynonanoate
CAS: 83968-06-3
CID: 11830182
Formula: C10H20O3
MW: 188.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.26
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass188.14124450
Monoisotopic Mass188.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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