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
-2.1027 0.9413 -1.0477 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9251 -0.2069 -0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9494 -0.8873 -0.0364 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5977 -0.5682 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4701 0.1564 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7904 -0.2274 0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9413 -1.2633 1.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8569 0.5666 0.0702 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0172 1.3737 -1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4682 -1.4613 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3181 1.0461 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6835 0.5302 0.6745 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