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Cis-11-Eicosenoic acid methyl ester

CAT: 1299-RG-E141139-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E141139-01Size:10 mg
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CAS Number
2390-09-2
Synonyms
Methyl (Z) -icos-11-enoate
Molecular Formula
C21H40O2
Molecular Weight
324.55
Product Name Synonym
Methyl (Z) -icos-11-enoate

Chemical Information

Methyl cis-icos-11-enoate
CAS Number2390-09-2
PubChem CID5319603
IUPAC Namemethyl (E)-icos-11-enoate
Molecular FormulaC21H40O2
Molecular Weight324.5
XLogP8.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Heavy Atom Count23
Formal Charge0
Complexity271
SMILES
CCCCCCCC/C=C/CCCCCCCCCC(=O)OC
InChI
InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10+
InChIKey
RBKMRGOHCLRTLZ-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of Methyl cis-icos-11-enoate
CAS: 2390-09-2
CID: 5319603
Formula: C21H40O2
MW: 324.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight324.5
XLogP38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Exact Mass324.302830514
Monoisotopic Mass324.302830514
Topological Polar Surface Area26.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes