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
0.2842 1.4136 1.2307 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8377 0.1601 1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6819 0.0208 2.2482 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6124 -0.9672 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1440 -1.1471 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0166 -0.1673 -1.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6990 -0.5386 -2.2276 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1703 1.1107 -0.7267 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8194 2.2738 1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2163 -1.8738 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1030 -2.1572 -1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3189 1.8722 -1.3882 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