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
2.7225 1.0695 -0.9301 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8072 0.4313 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2371 -0.1005 0.9342 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3881 0.3663 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3920 -0.2635 0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8204 -0.3417 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2450 0.1987 -0.8600 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7016 -0.9912 1.0467 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6361 0.6824 -1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0353 0.8255 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0404 -0.7178 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6371 -1.1589 0.6731 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