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
-0.4631 1.5805 -0.8961 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6317 0.3146 -1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1608 0.2802 -2.5677 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2925 -0.9306 -0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2322 -1.2026 0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6378 -0.2600 1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1567 -0.6915 2.4803 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 1.1203 1.2986 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2328 2.2672 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5254 -1.8608 -1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4016 -2.2647 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 1.6474 1.6940 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