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
-2.0670 1.7295 1.4216 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6201 0.7822 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4872 0.1701 -0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2121 0.4778 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2084 -0.4215 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 -0.7015 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4983 -0.1138 0.0577 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0349 -1.6571 -1.5435 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9666 1.6216 1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4970 1.0055 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5176 -0.9409 -1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0027 -1.9520 -1.5635 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