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
-1.0323 0.7004 -1.3363 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2331 0.9259 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2509 1.7040 0.2523 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4862 0.4259 1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 -0.3428 1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2206 -0.9219 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2399 -1.6725 0.2062 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9202 -0.7706 -1.4092 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7799 0.4755 -1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 0.7428 2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9634 -0.6106 2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7394 -0.6561 -2.0275 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