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Ethyl 6-hydroxyhexanoate

CAT: 0931-T84028-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T84028-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5299-60-5
Target
Others
Related Pathways
Others
Purity
0.9927
Bioactivity
Ethyl 6-hydroxyhexanoate can be used to synthesize 2-Bu suberic acid.
Smiles
CCOC(=O)CCCCCO
Molecular Formula
C8H16O3
Molecular Weight
160.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 6-hydroxyhexanoate
CAS Number5299-60-5
PubChem CID357781
IUPAC Nameethyl 6-hydroxyhexanoate
Molecular FormulaC8H16O3
Molecular Weight160.21
XLogP0.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count11
Formal Charge0
Complexity102
SMILES
CCOC(=O)CCCCCO
InChI
InChI=1S/C8H16O3/c1-2-11-8(10)6-4-3-5-7-9/h9H,2-7H2,1H3
InChIKey
HYXRUZUPCFVWAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 6-hydroxyhexanoate
CAS: 5299-60-5
CID: 357781
Formula: C8H16O3
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass160.109944368
Monoisotopic Mass160.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity102
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

CatalogName
449519-01Ethyl 6-Hydroxyhexanoate
sc-279091Ethyl 3-hydroxyhexanoate
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