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
-2.5892 0.2321 0.6145 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6727 -0.8023 0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1304 -1.9723 0.4553 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2476 -0.6134 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2563 0.5938 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6898 0.8151 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1172 1.9909 0.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5276 -0.2793 0.2811 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4651 0.1431 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4061 -1.4534 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4252 1.4282 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5332 -0.0824 0.4090 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