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
cid=

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
   -1.0733    0.7774    2.6256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8070   -0.1697    1.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1238   -1.3584    1.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1513    0.1954    0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1048   -0.6938   -0.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7581   -0.2460   -1.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0239   -1.0563   -2.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1124    1.0772   -1.9814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9827    0.5013    3.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    1.2219    0.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475   -1.7457   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640    1.4967   -2.9031 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