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
    1.5769   -0.3822    1.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757   -1.0778    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1751   -2.0107   -0.1363 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1911   -0.9213   -0.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7774   -0.0896   -0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9695    0.9163    0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501    1.1358    1.2265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1221    1.7376    0.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5096    0.0280    1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1791   -1.6329   -1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5442   -0.1374   -1.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2444    2.4342    0.7905 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