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
-1.6949 0.4243 -1.7958 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7792 0.3845 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0347 1.3812 -0.6460 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7354 -0.7422 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0261 -0.9650 1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0714 -0.1567 1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7031 -0.5851 2.7725 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4842 1.0722 1.2910 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9292 1.3208 -2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4680 -1.5615 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -1.9364 1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4733 1.3637 1.2572 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