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
   -1.7422   -0.3306    1.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6855   -0.2951   -0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8299   -0.3700   -0.8600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382   -0.1868   -1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212   -0.0972   -0.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3307   -0.0798    0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807   -0.1543    1.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    0.0238    0.6679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4611    0.1398    1.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7953   -0.1816   -2.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4177   -0.0230   -1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1801   -0.3928    1.4907 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