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
1.8081 -0.8016 -0.5219 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6404 0.3375 0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7563 0.8755 0.5876 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4254 0.9898 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7936 0.6620 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2144 -0.4798 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5159 -1.3575 -0.9396 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6331 -0.6405 -0.5281 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5762 -1.4155 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5139 1.9424 1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5803 1.3363 0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9830 -1.4485 -1.0599 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