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
-0.5972 1.8682 1.4443 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1029 1.4572 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1093 2.0671 -0.2447 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5164 0.3637 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5283 -0.2646 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1707 -1.3786 -0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1627 -1.9191 -0.2018 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7115 -1.8339 -1.9686 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2132 2.2785 2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9281 0.0645 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9308 0.0480 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9629 -2.7510 -2.3435 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