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
1.5332 1.2095 -0.3721 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6818 -0.1144 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9158 -0.5322 0.0362 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6401 -1.0325 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6258 -0.8507 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3221 0.3720 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8519 1.4779 -0.3541 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7464 0.3258 0.0198 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3140 1.8132 -0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9772 -2.0748 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2701 -1.7416 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2458 1.1478 -0.2952 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