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
2.3914 0.8176 -0.2547 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8736 -0.4601 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6581 -1.4257 -0.2927 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4528 -0.7127 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3769 0.3138 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7907 0.0535 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1838 -1.1355 0.2215 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7438 1.0564 0.2904 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3304 1.0361 0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0895 -1.7353 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0173 1.3285 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6833 0.8635 -0.0102 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