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
2.4496 0.2948 0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7605 -0.6236 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4124 -1.5315 -0.5793 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3148 -0.5126 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3329 0.4623 0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7782 0.5318 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4312 1.4464 0.7703 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4544 -0.3785 -0.5887 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4307 0.4953 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1829 -1.2352 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1987 1.1673 1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3870 -0.1165 -0.8892 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