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7-HC-arachidonate

CAT: 0024-sc-223738Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-223738Size:10 mg
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CAS Number
161180-11-6

Chemical Information

7-Hydroxycoumarinyl Arachidonate
CAS Number161180-11-6
PubChem CID35025479
IUPAC Name(2-oxochromen-7-yl) (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Molecular FormulaC29H36O4
Molecular Weight448.6
XLogP8.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count33
Formal Charge0
Complexity713
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC1=CC2=C(C=C1)C=CC(=O)O2
InChI
InChI=1S/C29H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(30)32-26-22-20-25-21-23-29(31)33-27(25)24-26/h6-7,9-10,12-13,15-16,20-24H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
SFTGFGOBCQCZDY-DOFZRALJSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxycoumarinyl Arachidonate
CAS: 161180-11-6
CID: 35025479
Formula: C29H36O4
MW: 448.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.6
XLogP38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass448.26135963
Monoisotopic Mass448.26135963
Topological Polar Surface Area52.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity713
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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Alternative Products

CatalogName
TRC-H115003-100MG7-HC-arachidonate
C3364-107-hydroxycoumarinyl Arachidonate
439687-017-HC-γ-linolenate
TRC-A594813-100MG7-HC-gamma-linolenate
BML-ST501-00107-HC-6-heptenoate
GAA61025-01Sodium Arachidonate
HY-W011297-01Methyl arachidonate
HY-165726Arachidyl arachidonate
HY-166059Myristyl arachidonate
011529Ethyl Arachidonate

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