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
-2.3519 0.4013 0.8904 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9276 -0.2366 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7930 -0.6597 -1.0549 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4979 -0.3725 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3972 0.0826 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8236 -0.0697 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2258 -0.6447 -0.8966 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7702 0.4051 1.0309 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3060 0.7363 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1460 -0.8646 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1121 0.5919 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6935 0.6307 0.6348 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