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
-2.3728 1.0050 -1.4178 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7523 0.2020 -0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4268 -0.5754 0.2415 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3057 0.2026 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2773 -0.5727 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7151 -0.5271 0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2498 -1.2640 1.6302 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4955 0.3001 0.0151 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3203 1.3246 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2849 0.8654 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3576 -1.2348 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5129 0.2743 -0.0140 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