Structure Database (LMSD)
Common Name
2-isopropyl trans-crotonic acid
Systematic Name
2-isopropyl-2E-butenoic acid
Synonyms
3D model of 2-isopropyl trans-crotonic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KPEWEFZCRAOPHV-GQCTYLIASA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-4-6(5(2)3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+
SMILES (Click to copy)
C/C=C(\C(C)C)/C(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
141.96
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.67
Molar Refractivity
36.23
Admin
Created at
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Updated at
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