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Methyl ricinelaidate

CAT: 0804-HY-166977Size: 1 EachDry Ice: NoHazardous: No
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Description
Methyl ricinelaidate is a biochemical assay reagent.
CAS Number
7706-01-6
UNSPSC
12352200
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/methyl-ricinelaidate.html
Smiles
COC(CCCCCCC/C=C/C[C@H](O)CCCCCC)=O
Molecular Formula
C19H36O3
Molecular Weight
312.49
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Methyl ricinelaidate

See also: Methyl Ricinoleate (annotation moved to).

CAS Number7706-01-6
PubChem CID6507945
IUPAC Namemethyl (E,12R)-12-hydroxyoctadec-9-enoate
Molecular FormulaC19H36O3
Molecular Weight312.5
XLogP6.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count22
Formal Charge0
Complexity274
SMILES
CCCCCC[C@H](C/C=C/CCCCCCCC(=O)OC)O
InChI
InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10+/t18-/m1/s1
InChIKey
XKGDWZQXVZSXAO-LVMGUKCRSA-N
Chemical Structure
2D Structure
2D structure of Methyl ricinelaidate
CAS: 7706-01-6
CID: 6507945
Formula: C19H36O3
MW: 312.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.5
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass312.26644501
Monoisotopic Mass312.26644501
Topological Polar Surface Area46.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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