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
-2.7101 -0.6983 1.1301 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6908 0.1935 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8732 1.4159 1.0802 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4325 -0.2607 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5255 0.6044 -0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8047 0.2172 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6697 1.0960 -0.8053 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1315 -1.0909 -0.8865 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5470 -0.3416 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2977 -1.3161 0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3518 1.6461 0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0682 -1.4655 -0.8275 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