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
    2.5601   -0.3397    1.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2562   -0.3596    0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8848   -1.5038    0.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229    0.8622    0.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6589    1.1044   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    0.1118   -0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7108    0.5171   -1.1041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3747   -1.2330   -0.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335   -1.1801    1.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0694    1.7618    0.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0082    2.1792   -0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1123   -1.9204   -0.9093 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