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
2.9758 -0.2076 0.3315 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8788 0.0354 -0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1043 0.4348 -1.6389 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5340 -0.1744 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5474 0.0421 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8855 -0.1733 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0937 -0.5726 1.0201 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9894 0.0672 -0.9446 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8531 0.3294 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3967 -0.5220 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3742 0.3888 -1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8526 0.3523 -0.4556 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