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
2.4142 0.7266 0.5288 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9136 -0.4946 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7099 -1.4370 -0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4738 -0.6761 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3977 0.2789 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8173 0.0129 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2185 -1.1225 -0.4582 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7879 0.9856 0.1427 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3312 1.0550 0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1179 -1.6365 -0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1179 1.2757 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6215 1.0321 -0.4637 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