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
-2.9365 -0.0963 -0.0612 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5414 0.1851 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2953 1.3208 -0.5736 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -0.8036 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6674 -0.7159 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5292 0.3585 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1536 1.4414 -0.5105 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9265 0.2318 0.0752 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5808 0.4888 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0652 -1.7459 0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1923 -1.6307 0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5611 0.9660 -0.2087 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