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
1.5812 0.4174 1.8784 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7472 -0.0734 0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8855 -0.4321 0.1832 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6204 -0.1958 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5807 0.1681 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7435 0.0608 -0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8652 0.4067 -0.3940 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6386 -0.4270 -2.0852 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2118 0.1190 2.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7244 -0.5757 -1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7265 0.5556 1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2158 -0.0237 -2.8122 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