Structure Database (LMSD)
Common Name
Tiglic acid
Systematic Name
2-methyl-2E-butenoic acid
Synonyms
- alpha,beta-dimethyl acrylic acid
- 2-Methyl-2-butenoic acid
- (E)-2-methyl-Crotonic acid
3D model of Tiglic 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)
UIERETOOQGIECD-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
SMILES (Click to copy)
C(/C)(=C/C)\C(=O)O
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0255
PubChem CID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
107.36
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.04
Molar Refractivity
27.07
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Created at
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Updated at
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