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Ethyl 3-hydroxyhexanoate

CAT: 0013-GTR19254647-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19254647-02Size:1 g
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Description
Ethyl 3-hydroxyhexanoate is an organic compound containing a hydroxyl group and an ester group, used in biochemical experiments and drug synthesis research.
CAS Number
2305-25-1
Purity
99.69% (May vary between batches)
Smiles
O=C (OCC) CC (O) CCC
Molecular Formula
C8H16O3
Molecular Weight
160.21
Storage Conditions
Keep away from moisture | store at 4°C
Notes
For research use only.

Chemical Information

Ethyl 3-hydroxyhexanoate

Ethyl 3-hydroxyhexanoate is a fatty acid ester that is the ethyl ester of 3-hydroxyhexanoic acid. It is functionally related to a 3-hydroxyhexanoic acid.

CAS Number2305-25-1
PubChem CID61293
IUPAC Nameethyl 3-hydroxyhexanoate
Molecular FormulaC8H16O3
Molecular Weight160.21
XLogP1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity112
SMILES
CCCC(CC(=O)OCC)O
InChI
InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
InChIKey
LYRIITRHDCNUHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-hydroxyhexanoate
CAS: 2305-25-1
CID: 61293
Formula: C8H16O3
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass160.109944368
Monoisotopic Mass160.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity112
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