Structure Database (LMSD)
Common Name
Isocrotonic acid
Systematic Name
2Z-butenoic acid
Synonyms
- cis-2-butenoic acid
- C4:1n-2
3D model of Isocrotonic 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)
LDHQCZJRKDOVOX-IHWYPQMZSA-N
InChi (Click to copy)
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-
SMILES (Click to copy)
C(=C/C)/C(=O)O
References
Other Databases
Wikipedia
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0041
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
90.06
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.65
Molar Refractivity
22.45
Reactions
Filter by species:
ⓘ
Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Admin
Created at
-
Updated at
25th Apr 2022