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
2.8764 -1.0477 0.2849 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8647 -0.1402 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1969 0.9849 -0.4323 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4831 -0.4609 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4811 0.4207 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 0.1009 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2479 -1.0089 0.6574 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8538 1.0363 -0.0701 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8365 -0.7781 0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2010 -1.4299 0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2047 1.3912 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7986 0.9317 0.2654 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