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
    2.8836   -0.3353   -0.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730   -0.4032   -0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9983   -1.5005   -0.7173 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7255    0.7093    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443    0.8190    0.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713   -0.1408    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3869   -1.2651   -0.3168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9026    0.2307    0.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3866   -1.0356   -1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    1.5914    0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8358    1.8242    0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6168   -0.4939    0.4198 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