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
-0.9874 0.5009 1.4654 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3479 -0.4473 0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4832 -1.0170 0.8149 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6575 -0.9090 -0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4821 -0.5058 -1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3527 0.5010 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4644 0.7668 -1.1419 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1696 1.2675 0.5981 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6376 1.2134 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1334 -1.7201 -1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8489 -0.9907 -1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9295 1.3403 1.2905 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