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
1.5866 0.7890 0.9129 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6716 -0.4066 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8514 -0.9432 0.1685 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5592 -1.0422 -0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6755 -0.6643 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3197 0.4947 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7750 1.4023 0.7345 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7073 0.6905 -0.1406 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4076 1.4051 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8417 -2.0031 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3775 -1.3412 -1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0630 1.6191 0.0431 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