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9-hydroxy Stearic Acid

CAT: 0127-BUP00728-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00728-02Size:5 mg
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CAS Number
3384-24-5
Purity
=98%
Smiles
C(C(CCCCCCCCC)O)CCCCCCC(O)=O

Chemical Information

9-Hydroxyoctadecanoic Acid

9-hydroxyoctadecanoic acid is a hydroxyoctadecanoic acid that is octadecanoic acid (stearic acid) which has been substituted by a hydroxy group at position 9. It is a conjugate acid of a 9-hydroxyoctadecanoate.

CAS Number3384-24-5
PubChem CID9570127
IUPAC Name9-hydroxyoctadecanoic acid
Molecular FormulaC18H36O3
Molecular Weight300.5
XLogP6.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity229
SMILES
CCCCCCCCCC(CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKey
RKHXDCVAPIMDMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Hydroxyoctadecanoic Acid
CAS: 3384-24-5
CID: 9570127
Formula: C18H36O3
MW: 300.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight300.5
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass300.26644501
Monoisotopic Mass300.26644501
Topological Polar Surface Area57.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity229
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