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
    2.3997   -0.4114    0.7345 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -0.2514   -0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4797   -0.2617   -1.5613 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763   -0.0704   -0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588   -0.0546    0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8124    0.1268    0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4768    0.1351    1.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4714    0.2924   -0.7135 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862   -0.1984    0.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1016    0.0550   -1.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1268   -0.1825    1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3512    0.8211   -0.7780 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