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
2.5400 -0.0581 0.2544 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6693 0.0768 -0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2086 0.2063 -1.9483 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2275 0.0665 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2356 -0.0742 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6756 -0.0862 0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1432 -0.2200 1.9678 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5569 0.0468 -0.2494 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5436 -0.1259 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4640 0.1735 -1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4498 -0.1776 1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5635 0.1719 -0.0646 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