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
-1.3304 1.4287 0.6226 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7058 0.1865 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9881 0.0353 0.1336 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8513 -0.8788 -0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4432 -0.9183 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4084 0.0868 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1561 1.2245 0.4727 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7781 -0.2115 -0.1267 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9238 2.2322 0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3718 -1.8070 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8943 -1.8732 -0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4912 0.4947 0.1241 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