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
-2.6978 0.7782 -0.2598 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3044 0.5086 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6155 1.3575 -0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7714 -0.6648 0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 -1.0135 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6490 -0.3797 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7660 -0.9955 -0.0128 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7743 0.8006 -0.8848 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0235 1.7375 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5069 -1.3354 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6109 -2.0100 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6531 1.2168 -1.1437 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