Structure Database (LMSD)
Common Name
2-aminomuconic acid semialdehyde
Systematic Name
2-amino-6-oxo-2,4-hexadienoic acid
Synonyms
3D model of 2-aminomuconic acid semialdehyde
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)
QCGTZPZKJPTAEP-REDYYMJGSA-N
InChi (Click to copy)
InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+
SMILES (Click to copy)
C(=O)(O)/C(/N)=C\C=C/C=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
139.17
Topological Polar Surface Area
80.39
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
-0.33
Molar Refractivity
35.11
Admin
Created at
-
Updated at
-