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
2.7495 0.1901 -0.4158 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 0.2962 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9213 1.4667 -0.1618 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5759 -0.8924 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6998 -1.0426 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7072 -0.0231 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9311 -0.3642 0.4894 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5330 1.3445 0.2263 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3057 1.0258 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1407 -1.8419 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1114 -2.0753 0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0671 1.9163 0.8943 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