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Juniperonic acid

CAT: 0013-GTR19248637-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248637-03Size:100 mg
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Description
Juniperonic acid is a reagent used in biochemical reactions.
CAS Number
18016-45-0
Smiles
CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCC (O) =O
Molecular Formula
C20H32O2
Molecular Weight
304.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,11,14,17-Eicosatetraenoic acid
CAS Number18016-45-0
PubChem CID5312541
IUPAC Name(5E,11E,14E,17E)-icosa-5,11,14,17-tetraenoic acid
Molecular FormulaC20H32O2
Molecular Weight304.5
XLogP6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count22
Formal Charge0
Complexity362
SMILES
CC/C=C/C/C=C/C/C=C/CCCC/C=C/CCCC(=O)O
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+,16-15+
InChIKey
JDKIKEYFSJUYJZ-MLPCWCQHSA-N
Chemical Structure
2D Structure
2D structure of 5,11,14,17-Eicosatetraenoic acid
CAS: 18016-45-0
CID: 5312541
Formula: C20H32O2
MW: 304.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.5
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass304.240230259
Monoisotopic Mass304.240230259
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity362
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