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
-2.2154 1.2026 0.5413 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9512 -0.1309 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9538 -0.8660 0.0483 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5907 -0.6263 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4378 0.1689 0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8164 -0.2934 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0209 -1.4961 0.0277 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8972 0.5337 0.5153 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0287 1.6358 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3965 -1.6597 -0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2008 1.2208 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7633 0.3105 0.0420 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