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
-3.0044 -0.5480 0.1115 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8652 0.2202 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9580 1.4658 0.0892 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5514 -0.3837 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5438 0.3676 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8590 -0.1944 -0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9864 -1.4506 -0.1327 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9793 0.5904 -0.1520 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8602 -0.2217 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4303 -1.4517 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4359 1.4579 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8650 0.1481 -0.3780 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