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Methyl 10-hydroxyoctadecanoate

CAT: 0127-OR1054906-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1054906-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2380-01-0
MDL Number
MFCD34601673
Purity
97%
Smiles
CCCCCCCCC(O)CCCCCCCCC(OC)=O

Chemical Information

Methyl 10-hydroxystearate
CAS Number2380-01-0
PubChem CID282300
IUPAC Namemethyl 10-hydroxyoctadecanoate
Molecular FormulaC19H38O3
Molecular Weight314.5
XLogP6.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count22
Formal Charge0
Complexity241
SMILES
CCCCCCCCC(CCCCCCCCC(=O)OC)O
InChI
InChI=1S/C19H38O3/c1-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
InChIKey
ZWOMTUQOMSFPSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 10-hydroxystearate
CAS: 2380-01-0
CID: 282300
Formula: C19H38O3
MW: 314.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight314.5
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass314.28209507
Monoisotopic Mass314.28209507
Topological Polar Surface Area46.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity241
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