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
-0.9455 1.6567 -0.6504 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5336 0.4226 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7680 0.4544 -1.0491 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9454 -0.8089 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2377 -1.0469 0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -0.1074 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2888 1.1270 0.2028 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5697 -0.5251 0.9373 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4373 2.5185 -0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6331 -1.6924 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5228 -2.1005 0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3303 0.1019 1.0792 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