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
-2.7764 1.1846 0.9353 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7908 0.8004 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0988 0.7953 -1.1806 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4419 0.4120 0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4380 0.0623 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7942 -0.3294 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1211 -0.3313 1.1664 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7541 -0.7078 -0.9634 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7359 0.8837 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1450 0.4069 1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1666 0.0598 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7149 -0.3711 -0.7936 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