Structure Database (LMSD)
Common Name
4-Methyl-3Z,5-hexadienoic acid
Systematic Name
4-Methyl-3Z,5-hexadienoic acid
Synonyms
3D model of 4-Methyl-3Z,5-hexadienoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BFUYPWNVMSXEQU-XQRVVYSFSA-N
InChi (Click to copy)
InChI=1S/C7H10O2/c1-3-6(2)4-5-7(8)9/h3-4H,1,5H2,2H3,(H,8,9)/b6-4-
SMILES (Click to copy)
C(C/C=C(/C)\C=C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
139.32
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.59
Molar Refractivity
36.21
Admin
Created at
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Updated at
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