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
-2.6393 0.7153 1.0498 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8304 -0.0113 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3691 -0.7764 -0.6352 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3818 0.1088 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4320 -0.5583 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8708 -0.4223 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6517 -1.0541 -1.1842 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4845 0.4353 0.4934 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5679 0.9692 0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0731 0.7840 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0146 -1.2252 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2618 1.0350 0.2041 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