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cis-Parinaric Acid Methyl Ester (Technical Grade)

CAT: 0572-TRC-P195323-0.5MGSize: 0.5 mgDry Ice: YesHazardous: No
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CAT#:0572-TRC-P195323-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26474-40-8
Synonyms
Methyl Ester cis-Parinaric Acid;
Hazard Statement
No Data Available
Smiles
CC\C=C/C=C/C=C/C=C\CCCCCCCC(=O)OC
Molecular Formula
C19H30O2
Molecular Weight
290.44
Shipping Conditions
Dry Ice
Storage Conditions
-86°C

Chemical Information

cis-Parinaric acid methyl ester

membrane probe; RN & N1 from CA Vol 90 Form Index; RN given refers to (Z,Z,E,E)-isomer

CAS Number26474-40-8
PubChem CID6443766
IUPAC Namemethyl (9Z,11Z,13E,15E)-octadeca-9,11,13,15-tetraenoate
Molecular FormulaC19H30O2
Molecular Weight290.4
XLogP6.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count21
Formal Charge0
Complexity349
SMILES
CC/C=C/C=C/C=C\C=C/CCCCCCCC(=O)OC
InChI
InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-11H,3,12-18H2,1-2H3/b5-4+,7-6+,9-8-,11-10-
InChIKey
JOSZZTLGHRSLOI-DFJBQONRSA-N
Chemical Structure
2D Structure
2D structure of cis-Parinaric acid methyl ester
CAS: 26474-40-8
CID: 6443766
Formula: C19H30O2
MW: 290.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.4
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass290.224580195
Monoisotopic Mass290.224580195
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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