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
0.9434 1.5289 -0.6757 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5420 0.3011 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8261 0.3452 -0.5456 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8678 -0.9365 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4042 -1.1903 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5190 -0.2853 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7021 -0.7748 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4828 1.0515 -0.4696 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3968 2.3451 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5228 -1.8322 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7296 -2.2501 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2611 1.6974 -0.2713 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