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
2.3675 -1.0585 -0.2657 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6660 -0.1225 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2796 0.3145 -2.0474 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3212 0.3057 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3353 -0.1393 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6816 0.3242 0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2084 1.1671 -0.1145 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4153 -0.1027 1.7305 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3790 -0.9423 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1577 1.0291 -1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1817 -0.8631 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3966 0.0878 1.8899 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