Structure Database (LMSD)
Common Name
All-Trans-3,4-Didehydro-Retinoic acid
Systematic Name
Synonyms
3D model of All-Trans-3,4-Didehydro-Retinoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
SYESMXTWOAQFET-YCNIQYBTSA-N
InChi (Click to copy)
InChI=1S/C20H26O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6-12,14H,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)=C(C)C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
1
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
341.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.38
Molar Refractivity
93.67
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Created at
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Updated at
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