Monomers
Maleic acid
Identifiers
IUPAC name
(Z)-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-UPHRSURJSA-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
-2.1017 1.1801 -0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9488 0.1085 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9861 -0.4067 0.7443 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6398 -0.4406 0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4480 0.1039 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7677 -0.4062 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9016 -1.3754 1.0584 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8745 0.1698 -0.2878 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9868 1.6324 -0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4900 -1.2749 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3655 0.9513 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7960 -0.2423 -0.2894 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