Structure Database (LMSD)
Common Name
2-amino-muconic acid
Systematic Name
2-amino-2,4-hexadienedioic acid
Synonyms
3D model of 2-amino-muconic 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)
ZRHONLCTYUYMIQ-HSFFGMMNSA-N
InChi (Click to copy)
InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1-,4-2+
SMILES (Click to copy)
C(=O)(O)/C(/N)=C\C=C/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
147.96
Topological Polar Surface Area
100.62
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
-0.45
Molar Refractivity
36.68
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Created at
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Updated at
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