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
2.6644 -1.0156 1.1139 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7085 -0.7543 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9238 -1.0061 -1.0395 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 -0.1837 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4680 0.0712 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7457 0.6500 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9175 0.8867 1.2912 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7606 0.9475 -0.7948 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6400 -1.1028 0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2484 0.0432 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2472 -0.1608 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5006 1.6247 -0.5525 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