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
-2.8362 -0.4626 -0.9834 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8707 0.0807 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2155 0.8496 0.7726 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4616 -0.2508 -0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5033 0.2245 0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8746 -0.1516 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1053 -0.9287 -0.8861 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9398 0.3067 0.8021 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7902 -0.6315 -0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2116 -0.9191 -1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2503 0.8987 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7127 -0.3246 1.0534 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