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
-2.8214 0.1416 1.1731 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8593 0.0097 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2533 -0.2439 -0.9813 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4197 0.1567 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4707 0.0250 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8740 0.1737 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2542 0.4279 0.9943 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7967 0.0321 -1.2041 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8141 -0.0637 1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1555 0.3742 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1638 -0.1903 -1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7638 -0.2057 -0.9858 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