Monomers

Fumaric acid

Identifiers

IUPAC name
(E)-but-2-enedioic acid
InchI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InchI Key
VZCYOOQTPOCHFL-OWOJBTEDSA-N
SMILES
OC(=O)/C=C/C(=O)O
Canonical SMILES
C(=CC(=O)O)C(=O)O
Isomeric SMILES
C(=C/C(=O)O)\C(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H4O4
Heavy Atom Count
8
Molecular Weight
116.072
Exact Molecular Weight
116.011
Valence Electrons
44
Radical Electrons
0
tPSA
74.6
MolLogP
-0.2882
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.9472    0.0511   -0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5639    0.2897   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1640    1.4630   -0.0708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -0.8128   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6465   -0.8192   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5462    0.3026    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    1.5143    0.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9551    0.0587    0.1648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5494    0.8874   -0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1843   -1.8137   -0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0818   -1.8569    0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5579    0.7358    0.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  1  9  1  0
  4 10  1  0
  5 11  1  0
  8 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers