Structure Database (LMSD)
Common Name
2,4-dichloromuconic acid
Systematic Name
2,4-dichlorohexa-2,4-dienedioic acid
Synonyms
- 2,4-dichloro-2,4-hexadienedioic acid
LM ID
LMFA01030963
Formula
C6H4O4Cl2
Exact Mass
Calculate m/z
209.948666
Status
Active
3D model of 2,4-dichloromuconic 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)
FHXOPKKNGKBBKG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H4Cl2O4/c7-3(2-5(9)10)1-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)
SMILES (Click to copy)
O=C(O)C(Cl)=C([H])C(Cl)=C([H])C(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
167.38
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
1.40
Molar Refractivity
43.14
Admin
Created at
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Updated at
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