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
1.3640 -0.5287 1.1928 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7452 -0.0260 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0026 0.0690 -0.2188 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8072 0.3766 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4819 0.3332 -0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3655 -0.1007 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0484 -0.5574 1.1980 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7844 -0.0447 -0.1007 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9436 -0.4452 2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2343 0.7732 -1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0307 0.7068 -1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3860 -0.5562 0.5316 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