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
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
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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