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
    2.9514   -0.0101    0.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288    0.1230   -0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8074    0.4048   -1.5915 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4532   -0.0564    0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6477    0.0869   -0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9484   -0.0849    0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0022    0.0506   -0.4326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0479   -0.3976    1.5910 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402    0.0049   -0.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955   -0.2985    1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    0.3278   -1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9225   -0.1505    2.0374 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