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
-1.0244 1.4923 0.2211 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5541 0.2645 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8378 0.2183 -0.0242 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8369 -0.9610 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4499 -1.1770 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5350 -0.2594 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7507 -0.6799 0.0122 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4373 1.0986 0.2375 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4116 2.3825 -0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4789 -1.8608 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7725 -2.2439 -0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1984 1.7259 0.3680 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