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
2.9223 -0.0685 0.2293 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5690 0.1340 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3452 0.9357 -1.0002 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5606 -0.5622 0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7197 -0.5236 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4944 0.2541 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0679 1.0463 -1.2878 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9101 0.1390 -0.3991 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6265 0.4250 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9351 -1.2564 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2882 -1.1787 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4784 0.6553 -1.0365 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