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
   -2.7764    1.1846    0.9353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7908    0.8004    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0988    0.7953   -1.1806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4419    0.4120    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4380    0.0623   -0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7942   -0.3294   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1211   -0.3313    1.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541   -0.7078   -0.9634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7359    0.8837    0.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1450    0.4069    1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1666    0.0598   -1.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7149   -0.3711   -0.7936 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