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
1.1852 1.4329 -0.0062 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5127 0.1548 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7490 0.0139 -0.7276 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6513 -0.9905 -0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6083 -1.1169 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5284 -0.1145 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7591 -0.4547 0.4633 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2180 1.2061 0.5079 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7460 1.9744 0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1901 -1.9186 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0451 -2.1278 -0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8753 1.9408 0.2714 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