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
3.0326 -0.3757 0.2414 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8678 0.2269 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9398 1.2055 -1.0008 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5701 -0.2725 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 0.2489 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8611 -0.2553 0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9295 -1.2388 1.0705 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0624 0.2943 -0.1319 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9117 -0.0838 -0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5215 -1.1154 0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5298 1.0866 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8938 0.2792 0.4554 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