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
-2.9240 0.1435 -0.0693 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5023 0.2127 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1948 0.9503 -1.1999 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6464 -0.5242 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6311 -0.5858 0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5466 0.0692 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2129 0.8173 -1.1812 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9447 -0.1037 -0.1228 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5457 0.7932 -0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1758 -1.1188 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0692 -1.2461 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 0.5925 -0.5220 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