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
   -2.7147    0.8960   -0.6975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4024    0.6356   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0190    1.4538    0.6365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616   -0.4802   -0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5273   -0.8186   -0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4283   -0.2311    0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    0.7850    1.2900 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7202   -0.8067    0.8233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2508    1.6835   -0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2044   -1.0881   -1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9124   -1.7384   -0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4426   -0.2908    1.2989 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