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
1.2836 -1.2053 -0.0734 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6050 0.1030 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8551 0.3667 0.1874 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5849 1.1053 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 0.9837 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5637 -0.1313 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8368 0.0555 0.2092 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1860 -1.4400 -0.0818 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9388 -1.9319 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0212 2.1173 0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2326 1.9547 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7735 -1.9776 -0.7070 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