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
-2.2972 1.0007 0.2545 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9305 -0.1856 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8446 -0.9088 -0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 -0.6179 -0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4111 0.1513 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8157 -0.2000 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1948 -1.2585 -0.5782 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7460 0.6543 0.5144 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1153 1.5347 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2716 -1.5279 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1471 1.0774 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6881 0.2804 0.6976 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