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
-0.2598 -1.3590 1.1611 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9537 -1.2786 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8030 -2.2149 -0.1994 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7617 -0.2383 -0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0099 0.7848 -0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9633 1.1872 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6627 2.2594 -0.2015 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2577 0.5716 1.1945 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7074 -1.7278 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4235 -0.3351 -1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0743 1.4356 -1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0899 0.7592 1.7507 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