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
3.0414 -0.3921 0.3107 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8695 0.2569 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9386 1.4134 -0.4669 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5535 -0.3655 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 0.2939 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8618 -0.2857 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9967 -1.4469 0.4958 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9984 0.4085 -0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8991 -0.1287 -0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4468 -1.3559 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4582 1.3020 -0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8851 0.3002 0.1792 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