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
2.8730 0.7157 -0.1008 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8381 0.0208 0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1246 -0.8334 1.3598 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4513 0.2296 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5135 -0.4494 0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9203 -0.2659 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7692 -0.9594 1.0437 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3886 0.6390 -0.4985 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7554 0.2455 -0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1878 0.9585 -0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2543 -1.1940 1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3843 0.8928 -0.5230 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