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Ethyl 3-hydroxynonanoate

CAT: 0127-OR1097743-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1097743-01Size:250 mg
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CAS Number
26257-80-7
MDL Number
MFCD16749026
Purity
97%
Smiles
C (CCCC (CC (=O) OCC) O) CC

Chemical Information

Ethyl 3-hydroxynonanoate
CAS Number26257-80-7
PubChem CID12807983
IUPAC Nameethyl 3-hydroxynonanoate
Molecular FormulaC11H22O3
Molecular Weight202.29
XLogP2.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity145
SMILES
CCCCCCC(CC(=O)OCC)O
InChI
InChI=1S/C11H22O3/c1-3-5-6-7-8-10(12)9-11(13)14-4-2/h10,12H,3-9H2,1-2H3
InChIKey
KSVXXMHBVOBCHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-hydroxynonanoate
CAS: 26257-80-7
CID: 12807983
Formula: C11H22O3
MW: 202.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.29
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass202.15689456
Monoisotopic Mass202.15689456
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity145
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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