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
3.0002 -0.0289 -0.3532 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7947 -0.6132 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7744 -1.7962 0.3633 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5628 0.1854 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6179 -0.2982 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7817 0.5437 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6470 1.7209 -0.5597 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0628 0.0495 0.1399 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9055 -0.4162 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6421 1.2030 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7729 -1.3070 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7975 0.7571 0.2115 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