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
-1.5867 1.2044 -0.4079 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6309 -0.1696 -0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7868 -0.6673 -0.8395 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5690 -1.1015 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6535 -0.8431 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2820 0.4329 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7400 1.5570 0.2285 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6522 0.5128 0.6658 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4104 1.6504 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8112 -2.1957 -0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3358 -1.7360 0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1315 1.3556 0.3781 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