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11-Hydroxy-12 (E),14 (Z) -eicosadienoic acid

CAT: 0926-FAA59837Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FAA59837Size:1 mg
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CAS Number
5598-37-8
MDL Number
MFCD00216105
Smiles
CCCCCC=CC=CC (CCCCCCCCCC (=O) O) O
Molecular Formula
C20H36O3
Molecular Weight
324.5 g/mol
Controlled
No

Chemical Information

(12E,14Z)-11-hydroxyicosa-12,14-dienoic acid
CAS Number5598-37-8
PubChem CID11976800
IUPAC Name(12E,14Z)-11-hydroxyicosa-12,14-dienoic acid
Molecular FormulaC20H36O3
Molecular Weight324.5
XLogP6.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count23
Formal Charge0
Complexity321
SMILES
CCCCC/C=C\C=C\C(CCCCCCCCCC(=O)O)O
InChI
InChI=1S/C20H36O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h7,10,13,16,19,21H,2-6,8-9,11-12,14-15,17-18H2,1H3,(H,22,23)/b10-7-,16-13+
InChIKey
HDMIRVFIVOGVIC-YTLDOUCOSA-N
Chemical Structure
2D Structure
2D structure of (12E,14Z)-11-hydroxyicosa-12,14-dienoic acid
CAS: 5598-37-8
CID: 11976800
Formula: C20H36O3
MW: 324.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.5
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass324.26644501
Monoisotopic Mass324.26644501
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS394147-0111-hydroxy-12(E),14(Z)-eicosadienoic acid
MBS394144-0111(S)-hydroxy-12(E),14(Z)-eicosadienoic acid
MBS394146-0111(R)-hydroxy-12(E),14(Z)-eicosadienoic acid
HY-1659093-Hydroxy-11 (Z),14 (Z) -eicosadienoic acid
MBS392415-013-Hydroxy-11 (Z),14 (Z)-eicosadienoic Acid
sc-507127Cis-11,14-Eicosadienoic acid
MBS394148-0115-hydroxy-11(Z),13(E)-eicosadienoic acid
MBS392149-0111 (Z),14 (Z)-Eicosadienoic Acid
HY-149589-0111 (Z),14 (Z) -Eicosadienoic acid
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